A0A087YG76_POEFO Loading...

PurE domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YG76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low68.3Low246 Ų246108.6 Ų108.6100%1.21263%0.627SS**  098.20-61.5-175-150.600106.7
2A34.9Very low70.7Confident102 Ų102108.4 Ų108.484%0.84361%0.613SS**  trans-76.1126.5173.400000106.9S4A2-S4 PolarHBondContact O-N 3.36Å
3S35.9Very low72.5Confident106 Ų106105.3 Ų105.374%0.74159%0.594SS**  trans-59.9111176.661.70000108T5S3-T5 VanDerWaalsContact C-N 3.29Å; S3-T5 PolarHBondContact O-N 3.49Å
4S50Low74.1Confident104 Ų104102.4 Ų102.473%0.72758%0.583SS**  trans-63.399.4163.453.80000106.1A2 E6A2-S4 PolarHBondContact O-N 3.36Å; S4-E6 PolarHBondContact O-N 3.37Å
5T59.8Low75.5Confident111 Ų111101.9 Ų101.968%0.68157%0.574SS**  trans-54108.716429.40000106.5S3 L7S3-T5 VanDerWaalsContact C-N 3.29Å; S3-T5 PolarHBondContact O-N 3.49Å; T5-L7 PolarHBondContact O-N 3.03Å
6E76.8Confident76.4Confident183 Ų18397.6 Ų97.686%0.85556%0.56SS**  trans-54.3123.7172.9-75.7-177.8152.100107.6S4 N8S4-E6 PolarHBondContact O-N 3.37Å; E6-N8 PolarHBondContact O-N 2.94Å
7L84.8Confident77.2Confident28 Ų2895.9 Ų95.915%0.14754%0.544CS..  trans-73.7128.9175.4-75.6179.6000108.5T5 I9 L24 L32 H81 T87T5-L7 PolarHBondContact O-N 3.03Å; L7-I9 HydrophobicContact CB-CG1 4.35Å; L7-I9 PolarHBondContact O-N 3.43Å; L7-L24 HydrophobicContact CB-CD2 4Å; L7-L24 HydrophobicContact CD1-CD1 4.35Å; L7-L24 HydrophobicContact CD1-CD2 3.95Å; L7-L24 HydrophobicContact CD2-CD1 4.49Å; L7-L24 HydrophobicContact CD2-CD2 4.31Å; L7-L24 HydrophobicContact CG-CD2 4.32Å; L7-L32 HydrophobicContact CD1-CD1 3.88Å; L7-H81 HydrophobicContact CD1-CB 4.31Å; L7-H81 WeakPolarHBondContact CD1-CE1 3.48Å; L7-H81 VanDerWaalsContact CD1-CG 3.44Å; L7-H81 VanDerWaalsContact CD1-ND1 3.3Å; L7-H81 WeakPolarHBondContact CD1-ND1 3.36Å; L7-H81 WeakPolarHBondContact CD1-NE2 3.3Å; L7-H81 WeakPolarHBondContact CG-CE1 3.05Å; L7-T87 HydrophobicContact CD1-CG2 3.81Å
8N92Very high78Confident79 Ų7991.9 Ų91.942%0.42252%0.523SS..  trans-76.690.6170.5-169.23.1000109.5E6 G10 V25 D26E6-N8 PolarHBondContact O-N 2.94Å; N8-G10 PolarHBondContact O-N 2.99Å; N8-V25 HydrophobicContact CB-CB 4.39Å; N8-V25 PolarHBondContact O-N 3.01Å; N8-D26 WeakPolarHBondContact CB-OD2 3.25Å; N8-D26 PolarHBondContact ND2-OD1 3.44Å; N8-D26 PolarHBondContact ND2-OD2 2.94Å
9I93.9Very high78.9Confident84 Ų8489.1 Ų89.143%0.43150%0.504SS..EExtended strand (participates in β ladder)trans-76.8121.2-177.6-57.9173.5000108.9L7 F22 L32L7-I9 HydrophobicContact CB-CG1 4.35Å; L7-I9 PolarHBondContact O-N 3.43Å; I9-F22 HydrophobicContact CG2-CB 3.59Å; I9-F22 HydrophobicContact CG2-CD1 3.88Å; I9-F22 HydrophobicContact CG2-CG 3.83Å; I9-L32 HydrophobicContact CD1-CD2 3.66Å; I9-L32 HydrophobicContact CG1-CD2 4.08Å
10G93.1Very high79.9Confident23 Ų2386.9 Ų86.924%0.23749%0.489CS..EExtended strand (participates in β ladder)trans-88-152.6176.400000112.9N8 E23N8-G10 PolarHBondContact O-N 2.99Å; G10-E23 PolarHBondContact N-O 3.48Å
11Q95Very high80.7Confident129 Ų12984 Ų8460%0.60347%0.472SS*.EExtended strand (participates in β ladder)trans-65.4153.1-179.565.7-171.6-18.100112.9L13 F22 E23Q11-L13 HydrophobicContact CG-CD2 4.08Å; Q11-L13 PolarHBondContact O-N 3.09Å; Q11-F22 WeakPolarHBondContact O-CA 3.46Å; Q11-E23 HydrophobicContact CG-CB 4.34Å; Q11-E23 WeakPolarHBondContact CG-OE2 3.48Å; Q11-E23 PolarHBondContact NE2-OE2 3.36Å; Q11-E23 PolarHBondContact O-N 2.62Å
12K97Very high83.7Confident106 Ų10674.1 Ų74.146%0.46142%0.423SS..EExtended strand (participates in β ladder)trans-74.2115.4170.6-172.7173.864.9178.50109.4E15 Q20 I21 F22K12-E15 HydrophobicContact CD-CB 4.28Å; K12-E15 IonicContact NZ-OE2 3.92Å; K12-E15 PolarHBondContact NZ-OE2 2.81Å; K12-Q20 HydrophobicContact CD-CB 4.43Å; K12-Q20 HydrophobicContact CD-CG 4.29Å; K12-I21 CarbonylContact C-O 3.59Å; K12-F22 HydrophobicContact CB-CD1 3.88Å; K12-F22 HydrophobicContact CB-CE1 3.75Å; K12-F22 HydrophobicContact CD-CE1 4.25Å; K12-F22 HydrophobicContact CD-CZ 4.32Å; K12-F22 HydrophobicContact CG-CD1 4.31Å; K12-F22 HydrophobicContact CG-CE1 4.01Å; K12-F22 HydrophobicContact CG-CZ 4.36Å
13L94.9Very high86.6Confident68 Ų6872.8 Ų72.836%0.35640%0.399SS..EExtended strand (participates in β ladder)trans-81.1-40.3-178.6-61.5176.5000111.9Q11 I21 E23 V31Q11-L13 HydrophobicContact CG-CD2 4.08Å; Q11-L13 PolarHBondContact O-N 3.09Å; L13-I21 HydrophobicContact CB-CG2 4.46Å; L13-I21 HydrophobicContact CD1-CG2 4.42Å; L13-I21 PolarHBondContact N-O 3.31Å; L13-E23 HydrophobicContact CD1-CB 4.28Å; L13-E23 HydrophobicContact CD2-CB 4.29Å; L13-E23 HydrophobicContact CG-CB 4.27Å; L13-V31 HydrophobicContact CD1-CG1 3.62Å
14S94.4Very high89.5Confident64 Ų6467.9 Ų67.945%0.44836%0.364SS..EExtended strand (participates in β ladder)trans-155.8159.2177.866.30000111.9I21S14-I21 PolarHBondContact N-O 2.92Å; S14-I21 PolarHBondContact O-N 2.96Å; S14-I21 WeakPolarHBondContact OG-CB 3.32Å; S14-I21 VanDerWaalsContact OG-CG1 3.23Å; S14-I21 WeakPolarHBondContact OG-CG1 3.37Å
15E95Very high91.6Very high95 Ų9566.2 Ų66.244%0.44435%0.35SS..EExtended strand (participates in β ladder)trans-136.3121.5175.4175.9158.7-159.800110.1K12 Q20 K36K12-E15 HydrophobicContact CD-CB 4.28Å; K12-E15 IonicContact NZ-OE2 3.92Å; K12-E15 PolarHBondContact NZ-OE2 2.81Å; E15-Q20 HydrophobicContact CB-CG 4.28Å; E15-Q20 VanDerWaalsContact CD-NE2 3.33Å; E15-Q20 HydrophobicContact CG-CG 3.89Å; E15-Q20 PolarHBondContact OE1-NE2 2.91Å; E15-Q20 PolarHBondContact OE2-NE2 3.49Å; E15-K36 IonicContact OE1-NZ 2.86Å; E15-K36 PolarHBondContact OE1-NZ 3.05Å
16G89.8Confident93.1Very high34 Ų3466.2 Ų66.235%0.35135%0.345SS..  trans-102.3-174.8172.400000112.1T18 K19 K36G16-T18 VanDerWaalsContact C-N 3.33Å; G16-T18 PolarHBondContact O-N 2.95Å; G16-K19 PolarHBondContact N-O 3.22Å; G16-K36 VanDerWaalsContact O-CE 3.27Å; G16-K36 WeakPolarHBondContact O-CE 3.17Å; G16-K36 PolarHBondContact O-NZ 3.19Å
17K90.1Very high93.9Very high68 Ų6860.8 Ų60.830%0.29632%0.32SS..SBendtrans-59.9-41.5178.8-65.3167.7-172.21650112.2K36 Q38 T40 A44 D133K17-K36 WeakPolarHBondContact O-CE 3.46Å; K17-K36 PolarHBondContact O-NZ 3.39Å; K17-Q38 PolarHBondContact O-OE1 3.37Å; K17-T40 HydrophobicContact CB-CG2 4.14Å; K17-A44 HydrophobicContact CD-CB 3.98Å; K17-A44 HydrophobicContact CG-CB 4.33Å; K17-D133 VanDerWaalsContact CE-OD2 3.3Å; K17-D133 WeakPolarHBondContact CE-OD2 3.42Å; K17-D133 IonicContact NZ-OD1 3.1Å; K17-D133 PolarHBondContact NZ-OD1 3.49Å; K17-D133 IonicContact NZ-OD2 3.73Å; K17-D133 PolarHBondContact NZ-OD2 2.94Å
18T91.8Very high94.2Very high25 Ų2563.7 Ų63.715%0.15334%0.341CS..SBendtrans-118.5-0.1-171.456.90000114.5G16 K36G16-T18 VanDerWaalsContact C-N 3.33Å; G16-T18 PolarHBondContact O-N 2.95Å; T18-K36 PolarHBondContact O-N 2.79Å
19K95.8Very high94.3Very high38 Ų3861 Ų6117%0.16533%0.331CS..EExtended strand (participates in β ladder)trans-154.8159.1-175.259.2-178.6-179.9-83.10113.5G16 I21 V33 Q34 D207 V208G16-K19 PolarHBondContact N-O 3.22Å; K19-I21 HydrophobicContact CD-CD1 4.47Å; K19-V33 HydrophobicContact CD-CG1 4.15Å; K19-Q34 CarbonylContact C-O 3.41Å; K19-Q34 WeakPolarHBondContact CA-O 3.4Å; K19-Q34 WeakPolarHBondContact CB-O 3.19Å; K19-D207 WeakPolarHBondContact CE-OD1 3.12Å; K19-D207 IonicContact NZ-OD1 2.92Å; K19-D207 PolarHBondContact NZ-OD1 2.7Å; K19-D207 IonicContact NZ-OD2 2.7Å; K19-V208 HydrophobicContact CD-CG1 4.24Å
20Q97.8Very high94.5Very high44 Ų4458.8 Ų58.821%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-124.9143.1173.2-68.3172.5-2700109K12 E15 F22 Q34 K36K12-Q20 HydrophobicContact CD-CB 4.43Å; K12-Q20 HydrophobicContact CD-CG 4.29Å; E15-Q20 HydrophobicContact CB-CG 4.28Å; E15-Q20 VanDerWaalsContact CD-NE2 3.33Å; E15-Q20 HydrophobicContact CG-CG 3.89Å; E15-Q20 PolarHBondContact OE1-NE2 2.91Å; E15-Q20 PolarHBondContact OE2-NE2 3.49Å; Q20-F22 HydrophobicContact CB-CD2 4.32Å; Q20-F22 HydrophobicContact CB-CE2 3.5Å; Q20-F22 VanDerWaalsContact CB-CE2 3.5Å; Q20-F22 HydrophobicContact CB-CZ 3.93Å; Q20-Q34 HydrophobicContact CB-CB 4.41Å; Q20-Q34 PolarHBondContact N-O 2.84Å; Q20-Q34 PolarHBondContact O-N 3.44Å; Q20-K36 HydrophobicContact CG-CD 4.2Å
21I97.7Very high94.7Very high26 Ų2658.1 Ų58.113%0.13331%0.311CS..EExtended strand (participates in β ladder)trans-113.9126179.3-48.8-62.1000108.3K12 L13 S14 K19 V31 L32 V33K12-I21 CarbonylContact C-O 3.59Å; L13-I21 HydrophobicContact CB-CG2 4.46Å; L13-I21 HydrophobicContact CD1-CG2 4.42Å; L13-I21 PolarHBondContact N-O 3.31Å; S14-I21 PolarHBondContact N-O 2.92Å; S14-I21 PolarHBondContact O-N 2.96Å; S14-I21 WeakPolarHBondContact OG-CB 3.32Å; S14-I21 VanDerWaalsContact OG-CG1 3.23Å; S14-I21 WeakPolarHBondContact OG-CG1 3.37Å; K19-I21 HydrophobicContact CD-CD1 4.47Å; I21-V31 HydrophobicContact CG2-CB 3.78Å; I21-V31 HydrophobicContact CG2-CG1 4.07Å; I21-V31 HydrophobicContact CG2-CG2 3.94Å; I21-L32 WeakPolarHBondContact CA-O 3.45Å; I21-V33 HydrophobicContact CD1-CB 4.16Å; I21-V33 HydrophobicContact CD1-CG1 3.82Å; I21-V33 HydrophobicContact CD1-CG2 3.86Å
22F97.8Very high94.8Very high40 Ų4052.1 Ų52.118%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-119.5146.3178.9-58.8-94.9000111.2I9 Q11 K12 Q20 V31 L32 Q34I9-F22 HydrophobicContact CG2-CB 3.59Å; I9-F22 HydrophobicContact CG2-CD1 3.88Å; I9-F22 HydrophobicContact CG2-CG 3.83Å; Q11-F22 WeakPolarHBondContact O-CA 3.46Å; K12-F22 HydrophobicContact CB-CD1 3.88Å; K12-F22 HydrophobicContact CB-CE1 3.75Å; K12-F22 HydrophobicContact CD-CE1 4.25Å; K12-F22 HydrophobicContact CD-CZ 4.32Å; K12-F22 HydrophobicContact CG-CD1 4.31Å; K12-F22 HydrophobicContact CG-CE1 4.01Å; K12-F22 HydrophobicContact CG-CZ 4.36Å; Q20-F22 HydrophobicContact CB-CD2 4.32Å; Q20-F22 HydrophobicContact CB-CE2 3.5Å; Q20-F22 VanDerWaalsContact CB-CE2 3.5Å; Q20-F22 HydrophobicContact CB-CZ 3.93Å; F22-V31 CarbonylContact O-C 3.55Å; F22-V31 VanDerWaalsContact O-CA 3.25Å; F22-V31 WeakPolarHBondContact O-CA 3.47Å; F22-V31 WeakPolarHBondContact O-CB 3.38Å; F22-L32 HydrophobicContact CB-CB 4.28Å; F22-L32 PolarHBondContact N-O 2.97Å; F22-L32 PolarHBondContact O-N 3.01Å; F22-Q34 HydrophobicContact CD2-CB 4.23Å; F22-Q34 HydrophobicContact CE2-CB 3.84Å; F22-Q34 HydrophobicContact CE2-CG 4.36Å
23E96.3Very high94.9Very high73 Ų7347.5 Ų47.534%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-65.7148.9168.1-176.8172.3-173.800110.9G10 Q11 L13G10-E23 PolarHBondContact N-O 3.48Å; Q11-E23 HydrophobicContact CG-CB 4.34Å; Q11-E23 WeakPolarHBondContact CG-OE2 3.48Å; Q11-E23 PolarHBondContact NE2-OE2 3.36Å; Q11-E23 PolarHBondContact O-N 2.62Å; L13-E23 HydrophobicContact CD1-CB 4.28Å; L13-E23 HydrophobicContact CD2-CB 4.29Å; L13-E23 HydrophobicContact CG-CB 4.27Å
24L96Very high95.1Very high3 Ų346.5 Ų46.52%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-111.9106167.9-68177.3000109.1L7 D26 Q27 L30 L32 T87L7-L24 HydrophobicContact CB-CD2 4Å; L7-L24 HydrophobicContact CD1-CD1 4.35Å; L7-L24 HydrophobicContact CD1-CD2 3.95Å; L7-L24 HydrophobicContact CD2-CD1 4.49Å; L7-L24 HydrophobicContact CD2-CD2 4.31Å; L7-L24 HydrophobicContact CG-CD2 4.32Å; L24-D26 VanDerWaalsContact C-N 3.32Å; L24-D26 PolarHBondContact O-N 2.86Å; L24-Q27 HydrophobicContact CB-CB 4.13Å; L24-Q27 CarbonylContact O-C 3.41Å; L24-Q27 PolarHBondContact O-N 2.84Å; L24-Q27 VanDerWaalsContact O-N 3.09Å; L24-L30 HydrophobicContact CD1-CB 4.13Å; L24-L32 HydrophobicContact CD2-CB 4.09Å; L24-L32 HydrophobicContact CG-CB 4.4Å; L24-T87 HydrophobicContact CD1-CG2 3.86Å
25V93.2Very high95.2Very high70 Ų7044 Ų4442%0.42424%0.24SC..THydrogen-bonded Turntrans-58.7-44.4-169.1-179.70000111.5N8 Q27N8-V25 HydrophobicContact CB-CB 4.39Å; N8-V25 PolarHBondContact O-N 3.01Å; V25-Q27 VanDerWaalsContact C-N 3.29Å; V25-Q27 PolarHBondContact O-N 2.83Å
26D93.3Very high95.3Very high110 Ų11041.2 Ų41.259%0.58823%0.226SC*.THydrogen-bonded Turntrans-85.3-3.2-175.5-56-32000113.1N8 L24N8-D26 WeakPolarHBondContact CB-OD2 3.25Å; N8-D26 PolarHBondContact ND2-OD1 3.44Å; N8-D26 PolarHBondContact ND2-OD2 2.94Å; L24-D26 VanDerWaalsContact C-N 3.32Å; L24-D26 PolarHBondContact O-N 2.86Å
27Q93.4Very high95.7Very high69 Ų6941.9 Ų41.932%0.32222%0.222SC..SBendtrans-131.171.2-177.1-61.1-178.638.500110.9L24 V25 G29 L30L24-Q27 HydrophobicContact CB-CB 4.13Å; L24-Q27 CarbonylContact O-C 3.41Å; L24-Q27 PolarHBondContact O-N 2.84Å; L24-Q27 VanDerWaalsContact O-N 3.09Å; V25-Q27 VanDerWaalsContact C-N 3.29Å; V25-Q27 PolarHBondContact O-N 2.83Å; Q27-G29 PolarHBondContact O-N 2.85Å; Q27-L30 HydrophobicContact CB-CB 4.25Å; Q27-L30 HydrophobicContact CB-CD1 4.13Å; Q27-L30 HydrophobicContact CB-CG 4.39Å; Q27-L30 WeakPolarHBondContact O-CB 3.28Å; Q27-L30 PolarHBondContact O-N 2.92Å
28P91.1Very high95.9Very high90 Ų9042.3 Ų42.358%0.58423%0.225SC*.THydrogen-bonded Turntrans-52.5135-176.5-26.833.9000112.2L30 K199P28-L30 VanDerWaalsContact C-N 3.28Å; P28-L30 PolarHBondContact O-N 2.91Å; P28-K199 WeakPolarHBondContact O-CE 3.33Å; P28-K199 PolarHBondContact O-NZ 2.85Å
29G93.3Very high96Very high21 Ų2141.1 Ų41.122%0.21622%0.218CC..THydrogen-bonded Turntrans76.77.3-178.200000115.3Q27 H90Q27-G29 PolarHBondContact O-N 2.85Å; G29-H90 WeakPolarHBondContact O-CB 3.47Å; G29-H90 PolarHBondContact O-N 2.97Å
30L97.1Very high95.8Very high38 Ų3840 Ų4020%0.19921%0.214CC..EExtended strand (participates in β ladder)trans-109.1155.4162.9-57.4-172.3000110.2L24 Q27 P28 V78 A88 A89L24-L30 HydrophobicContact CD1-CB 4.13Å; Q27-L30 HydrophobicContact CB-CB 4.25Å; Q27-L30 HydrophobicContact CB-CD1 4.13Å; Q27-L30 HydrophobicContact CB-CG 4.39Å; Q27-L30 WeakPolarHBondContact O-CB 3.28Å; Q27-L30 PolarHBondContact O-N 2.92Å; P28-L30 VanDerWaalsContact C-N 3.28Å; P28-L30 PolarHBondContact O-N 2.91Å; L30-V78 HydrophobicContact CD2-CG2 3.93Å; L30-A88 CarbonylContact C-O 3.59Å; L30-A88 VanDerWaalsContact CA-O 3.28Å; L30-A88 WeakPolarHBondContact CA-O 3.23Å; L30-A89 HydrophobicContact CD2-CB 4.4Å
31V97.9Very high95.4Very high9 Ų938.5 Ų38.56%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-132.8153.6176.7-66.30000110.4L13 I21 F22 T87 A88 H90L13-V31 HydrophobicContact CD1-CG1 3.62Å; I21-V31 HydrophobicContact CG2-CB 3.78Å; I21-V31 HydrophobicContact CG2-CG1 4.07Å; I21-V31 HydrophobicContact CG2-CG2 3.94Å; F22-V31 CarbonylContact O-C 3.55Å; F22-V31 VanDerWaalsContact O-CA 3.25Å; F22-V31 WeakPolarHBondContact O-CA 3.47Å; F22-V31 WeakPolarHBondContact O-CB 3.38Å; V31-T87 WeakPolarHBondContact O-CA 3.39Å; V31-A88 HydrophobicContact CG2-CB 4.22Å; V31-A88 PolarHBondContact N-O 3.13Å; V31-A88 PolarHBondContact O-N 3.46Å; V31-H90 HydrophobicContact CG1-CB 3.91Å
32L98.1Very high94.7Very high3 Ų339.9 Ų39.92%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-92.5126.2167.3-170.474.4000109.4L7 I9 I21 F22 L24 H81 A85 T87L7-L32 HydrophobicContact CD1-CD1 3.88Å; I9-L32 HydrophobicContact CD1-CD2 3.66Å; I9-L32 HydrophobicContact CG1-CD2 4.08Å; I21-L32 WeakPolarHBondContact CA-O 3.45Å; F22-L32 HydrophobicContact CB-CB 4.28Å; F22-L32 PolarHBondContact N-O 2.97Å; F22-L32 PolarHBondContact O-N 3.01Å; L24-L32 HydrophobicContact CD2-CB 4.09Å; L24-L32 HydrophobicContact CG-CB 4.4Å; L32-H81 HydrophobicContact CD1-CB 4.1Å; L32-A85 HydrophobicContact CD1-CB 3.91Å; L32-A85 HydrophobicContact CD2-CB 4.45Å; L32-A85 HydrophobicContact CG-CB 4.15Å; L32-T87 HydrophobicContact CD1-CG2 4.19Å
33V98.3Very high93.8Very high9 Ų940.4 Ų40.46%0.05524%0.235CC..EExtended strand (participates in β ladder)trans-100.7107.8172.4-174.20000108.1K19 I21 A85 F86 A88K19-V33 HydrophobicContact CD-CG1 4.15Å; I21-V33 HydrophobicContact CD1-CB 4.16Å; I21-V33 HydrophobicContact CD1-CG1 3.82Å; I21-V33 HydrophobicContact CD1-CG2 3.86Å; V33-A85 WeakPolarHBondContact O-CA 3.3Å; V33-A85 WeakPolarHBondContact O-CB 3.41Å; V33-F86 HydrophobicContact CB-CD1 3.9Å; V33-F86 HydrophobicContact CB-CD2 4.42Å; V33-F86 HydrophobicContact CB-CE1 3.56Å; V33-F86 HydrophobicContact CB-CE2 4.11Å; V33-F86 HydrophobicContact CB-CG 4.34Å; V33-F86 HydrophobicContact CB-CZ 3.68Å; V33-F86 HydrophobicContact CG1-CD1 4.23Å; V33-F86 HydrophobicContact CG1-CE1 3.5Å; V33-F86 HydrophobicContact CG1-CZ 3.75Å; V33-F86 HydrophobicContact CG2-CD2 4.4Å; V33-F86 HydrophobicContact CG2-CE1 4.18Å; V33-F86 HydrophobicContact CG2-CE2 3.87Å; V33-F86 HydrophobicContact CG2-CZ 3.75Å; V33-F86 PolarHBondContact N-O 2.89Å; V33-F86 PolarHBondContact O-N 2.99Å; V33-F86 VanDerWaalsContact O-N 3.13Å; V33-A88 HydrophobicContact CG2-CB 4.07Å
34Q98.3Very high92.9Very high47 Ų4738.6 Ų38.622%0.2223%0.232CC..EExtended strand (participates in β ladder)trans-100.7115.7-179.6177.261.963.200110K19 Q20 F22 T84K19-Q34 CarbonylContact C-O 3.41Å; K19-Q34 WeakPolarHBondContact CA-O 3.4Å; K19-Q34 WeakPolarHBondContact CB-O 3.19Å; Q20-Q34 HydrophobicContact CB-CB 4.41Å; Q20-Q34 PolarHBondContact N-O 2.84Å; Q20-Q34 PolarHBondContact O-N 3.44Å; F22-Q34 HydrophobicContact CD2-CB 4.23Å; F22-Q34 HydrophobicContact CE2-CB 3.84Å; F22-Q34 HydrophobicContact CE2-CG 4.36Å; Q34-T84 VanDerWaalsContact NE2-CB 3.32Å; Q34-T84 PolarHBondContact NE2-O 2.92Å; Q34-T84 PolarHBondContact NE2-OG1 3.35Å
35S98.1Very high92.3Very high12 Ų1243.1 Ų43.18%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-73.9151174-60.90000111.7A54 T84S35-A54 WeakPolarHBondContact CB-O 3.46Å; S35-T84 WeakPolarHBondContact CB-O 3.25Å; S35-T84 PolarHBondContact N-O 3.38Å
36K97.3Very high92.2Very high36 Ų3643.1 Ų43.116%0.15726%0.262CS..  trans-112.6149.7176.3-63.6-169.6-71.7-177.20111.6E15 G16 K17 T18 Q20 Q38E15-K36 IonicContact OE1-NZ 2.86Å; E15-K36 PolarHBondContact OE1-NZ 3.05Å; G16-K36 VanDerWaalsContact O-CE 3.27Å; G16-K36 WeakPolarHBondContact O-CE 3.17Å; G16-K36 PolarHBondContact O-NZ 3.19Å; K17-K36 WeakPolarHBondContact O-CE 3.46Å; K17-K36 PolarHBondContact O-NZ 3.39Å; T18-K36 PolarHBondContact O-N 2.79Å; Q20-K36 HydrophobicContact CG-CD 4.2Å; K36-Q38 HydrophobicContact CB-CB 4.5Å; K36-Q38 HydrophobicContact CB-CG 4.49Å; K36-Q38 PolarHBondContact O-N 2.78Å
37D96.6Very high92.1Very high49 Ų4945.4 Ų45.426%0.26227%0.267SS..SBendtrans-75.947.8173.9-80.4-19.9000112.6Q49 M50 G52 K53 A54D37-Q49 WeakPolarHBondContact O-CA 3.27Å; D37-M50 WeakPolarHBondContact CB-O 3.2Å; D37-M50 PolarHBondContact O-N 3.33Å; D37-G52 PolarHBondContact OD1-N 3Å; D37-G52 VanDerWaalsContact OD1-N 3.13Å; D37-G52 PolarHBondContact OD2-N 3.03Å; D37-K53 PolarHBondContact OD1-N 3.13Å; D37-A54 WeakPolarHBondContact OD1-CB 3.48Å; D37-A54 PolarHBondContact OD1-N 3.47Å
38Q94.7Very high92.2Very high76 Ų7644.5 Ų44.536%0.35527%0.265SS..EExtended strand (participates in β ladder)trans-125.9133.2-177.9-69.9-168.6-900110.9K17 K36 K53K17-Q38 PolarHBondContact O-OE1 3.37Å; K36-Q38 HydrophobicContact CB-CB 4.5Å; K36-Q38 HydrophobicContact CB-CG 4.49Å; K36-Q38 PolarHBondContact O-N 2.78Å; Q38-K53 WeakPolarHBondContact O-CD 3.4Å; Q38-K53 WeakPolarHBondContact O-CE 3.41Å
39I94.2Very high92.3Very high0 Ų047.8 Ų47.80%027%0.272CS..EExtended strand (participates in β ladder)trans-112.7139.9169-167.3170.3000109.3K47 D48 M50 K53 K228 Y231 M242 V245 F249I39-K47 WeakPolarHBondContact O-CA 3.3Å; I39-D48 HydrophobicContact CG2-CB 3.97Å; I39-D48 PolarHBondContact N-O 3.02Å; I39-D48 PolarHBondContact O-N 3.33Å; I39-M50 HydrophobicContact CG2-CB 4.43Å; I39-K53 HydrophobicContact CB-CD 3.81Å; I39-K53 HydrophobicContact CG1-CD 4.4Å; I39-K228 HydrophobicContact CD1-CG 4.45Å; I39-Y231 HydrophobicContact CD1-CD1 3.78Å; I39-Y231 HydrophobicContact CD1-CD2 4.18Å; I39-Y231 HydrophobicContact CD1-CE1 4.27Å; I39-Y231 HydrophobicContact CD1-CG 3.7Å; I39-Y231 HydrophobicContact CG1-CD1 3.87Å; I39-Y231 HydrophobicContact CG1-CE1 3.93Å; I39-Y231 HydrophobicContact CG1-CG 4.28Å; I39-Y231 HydrophobicContact CG2-CD2 4.47Å; I39-Y231 HydrophobicContact CG2-CE1 4.23Å; I39-Y231 HydrophobicContact CG2-CE2 3.98Å; I39-M242 HydrophobicContact CG2-CE 3.87Å; I39-V245 HydrophobicContact CD1-CG1 3.92Å; I39-F249 HydrophobicContact CD1-CE2 4.49Å; I39-F249 HydrophobicContact CD1-CZ 4.2Å
40T91.4Very high92.4Very high15 Ų1547.2 Ų47.29%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-138.2144.4-175.763.90000112.3K17 R46 K47 K228K17-T40 HydrophobicContact CB-CG2 4.14Å; T40-R46 CarbonylContact C-O 3.53Å; T40-R46 WeakPolarHBondContact CA-O 3.32Å; T40-K47 HydrophobicContact CG2-CB 4.16Å; T40-K228 WeakPolarHBondContact O-CE 3.49Å; T40-K228 PolarHBondContact O-NZ 3.49Å
41A89.1Confident92.4Very high12 Ų1252.6 Ų52.610%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-136.8153.3172.500000111.5A44 A45 R46 Y231 R232A41-A44 PolarHBondContact O-N 3.33Å; A41-A45 PolarHBondContact O-N 2.93Å; A41-R46 HydrophobicContact CB-CB 4.26Å; A41-R46 PolarHBondContact N-O 3.44Å; A41-R46 PolarHBondContact O-N 3.19Å; A41-Y231 HydrophobicContact CB-CD1 3.98Å; A41-Y231 HydrophobicContact CB-CE1 3.66Å; A41-R232 HydrophobicContact CB-CG 4.08Å
42G82.7Confident92.3Very high55 Ų5553.3 Ų53.357%0.56730%0.297SS*.THydrogen-bonded Turntrans57.759.5179.100000112.9A44 A45G42-A44 VanDerWaalsContact C-N 3.27Å; G42-A44 PolarHBondContact O-N 2.83Å; G42-A45 WeakPolarHBondContact O-CB 3.45Å; G42-A45 PolarHBondContact O-N 2.97Å
43N78.8Confident92.2Very high52 Ų5253.2 Ų53.228%0.27830%0.297SS..THydrogen-bonded Turntrans53.340.4-179.1-62.8-1.5000114.7A45 D133 N136N43-A45 PolarHBondContact O-N 2.94Å; N43-D133 PolarHBondContact ND2-O 2.73Å; N43-N136 WeakPolarHBondContact ND2-CA 3.21Å; N43-N136 PolarHBondContact ND2-OD1 3.25Å
44A78.8Confident92.2Very high35 Ų3553 Ų5329%0.28930%0.296SS..THydrogen-bonded Turntrans66.313-176.100000115.7K17 A41 G42 R46K17-A44 HydrophobicContact CD-CB 3.98Å; K17-A44 HydrophobicContact CG-CB 4.33Å; A41-A44 PolarHBondContact O-N 3.33Å; G42-A44 VanDerWaalsContact C-N 3.27Å; G42-A44 PolarHBondContact O-N 2.83Å; A44-R46 PolarHBondContact O-N 2.85Å
45A83.2Confident92.2Very high98 Ų9852 Ų5281%0.8130%0.295SS*.THydrogen-bonded Turntrans-60.1-32.9166.100000111.8A41 G42 N43A41-A45 PolarHBondContact O-N 2.93Å; G42-A45 WeakPolarHBondContact O-CB 3.45Å; G42-A45 PolarHBondContact O-N 2.97Å; N43-A45 PolarHBondContact O-N 2.94Å
46R90.6Very high92.2Very high69 Ų6952.1 Ų52.126%0.2630%0.295SS..EExtended strand (participates in β ladder)trans-110.8128.3166.7-163.4-173.4-81.2-176.5-9.8109.1T40 A41 A44 Y231 L234 V237T40-R46 CarbonylContact C-O 3.53Å; T40-R46 WeakPolarHBondContact CA-O 3.32Å; A41-R46 HydrophobicContact CB-CB 4.26Å; A41-R46 PolarHBondContact N-O 3.44Å; A41-R46 PolarHBondContact O-N 3.19Å; A44-R46 PolarHBondContact O-N 2.85Å; R46-Y231 WeakPolarHBondContact CD-OH 3.4Å; R46-Y231 HydrophobicContact CG-CE1 4.47Å; R46-Y231 VanDerWaalsContact CG-OH 3.28Å; R46-Y231 WeakPolarHBondContact CG-OH 3.39Å; R46-Y231 PolarHBondContact NH1-O 2.94Å; R46-L234 PolarHBondContact NH1-O 3.25Å; R46-L234 PolarHBondContact NH2-O 2.75Å; R46-V237 HydrophobicContact CG-CG2 4.47Å
47K92.1Very high92.2Very high158 Ų15850.8 Ų50.869%0.68729%0.29SS*.EExtended strand (participates in β ladder)trans-145.5133.1178.564.2-178.3-177178.90109.8I39 T40I39-K47 WeakPolarHBondContact O-CA 3.3Å; T40-K47 HydrophobicContact CG2-CB 4.16Å
48D94.5Very high92.3Very high51 Ų5148.4 Ų48.427%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-141149.9179-65.2-79000110.3I39 Y231 M242I39-D48 HydrophobicContact CG2-CB 3.97Å; I39-D48 PolarHBondContact N-O 3.02Å; I39-D48 PolarHBondContact O-N 3.33Å; D48-Y231 WeakPolarHBondContact OD2-CE2 3.5Å; D48-Y231 PolarHBondContact OD2-OH 3.31Å; D48-M242 HydrophobicContact CB-CE 4.11Å
49Q94.3Very high92.5Very high159 Ų15947.5 Ų47.574%0.74327%0.273SS*.EExtended strand (participates in β ladder)trans-82.4131.5171.3-172.5145.96.200109.3D37D37-Q49 WeakPolarHBondContact O-CA 3.27Å
50M94.9Very high92.7Very high8 Ų847.5 Ų47.54%0.03927%0.273CS..  trans-134.594.3178.8-174.4173106.900108.7D37 I39 G52 K53 M242 V245 K246 F249D37-M50 WeakPolarHBondContact CB-O 3.2Å; D37-M50 PolarHBondContact O-N 3.33Å; I39-M50 HydrophobicContact CG2-CB 4.43Å; M50-G52 PolarHBondContact O-N 3.27Å; M50-K53 HydrophobicContact CB-CB 4.09Å; M50-K53 HydrophobicContact CE-CB 3.6Å; M50-K53 HydrophobicContact CE-CD 3.92Å; M50-K53 HydrophobicContact CE-CG 3.82Å; M50-K53 HydrophobicContact CG-CB 4.18Å; M50-K53 WeakPolarHBondContact O-CB 3.44Å; M50-K53 PolarHBondContact O-N 3.38Å; M50-M242 HydrophobicContact CB-CE 4.18Å; M50-M242 HydrophobicContact CG-CE 4.36Å; M50-M242 HydrophobicContact SD-CE 4.21Å; M50-V245 HydrophobicContact SD-CG1 4.19Å; M50-K246 HydrophobicContact CE-CB 4.37Å; M50-K246 HydrophobicContact CE-CG 4.49Å; M50-K246 HydrophobicContact CG-CB 4.43Å; M50-K246 HydrophobicContact SD-CB 4.08Å; M50-F249 HydrophobicContact CE-CB 4.12Å; M50-F249 HydrophobicContact CE-CD1 4Å; M50-F249 HydrophobicContact CE-CG 3.95Å
51E95.7Very high93.1Very high151 Ų15146.9 Ų46.971%0.70627%0.269SS*.THydrogen-bonded Turntrans-54.4129.8-179.4-173.8-177.3-179.900111.6K53 K246E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K246 WeakPolarHBondContact O-CE 3.15Å; E51-K246 PolarHBondContact O-NZ 3.29Å
52G95.9Very high93.5Very high24 Ų2446.7 Ų46.725%0.24727%0.267CS..THydrogen-bonded Turntrans83.7-5.1-177.900000114.6D37 M50 A54 A55 I56D37-G52 PolarHBondContact OD1-N 3Å; D37-G52 VanDerWaalsContact OD1-N 3.13Å; D37-G52 PolarHBondContact OD2-N 3.03Å; M50-G52 PolarHBondContact O-N 3.27Å; G52-A54 VanDerWaalsContact C-N 3.25Å; G52-A54 PolarHBondContact O-N 3.08Å; G52-A55 PolarHBondContact O-N 2.84Å; G52-I56 WeakPolarHBondContact O-CG1 3.47Å; G52-I56 PolarHBondContact O-N 3.33Å; G52-I56 VanDerWaalsContact O-N 3.1Å
53K97Very high94.3Very high1 Ų144.7 Ų44.70%0.00424%0.244CC..Hα-helixtrans-58.5-38.6175.1177.5169.5158.761.50111.7D37 Q38 I39 M50 E51 A55 I56 A57 D212D37-K53 PolarHBondContact OD1-N 3.13Å; Q38-K53 WeakPolarHBondContact O-CD 3.4Å; Q38-K53 WeakPolarHBondContact O-CE 3.41Å; I39-K53 HydrophobicContact CB-CD 3.81Å; I39-K53 HydrophobicContact CG1-CD 4.4Å; M50-K53 HydrophobicContact CB-CB 4.09Å; M50-K53 HydrophobicContact CE-CB 3.6Å; M50-K53 HydrophobicContact CE-CD 3.92Å; M50-K53 HydrophobicContact CE-CG 3.82Å; M50-K53 HydrophobicContact CG-CB 4.18Å; M50-K53 WeakPolarHBondContact O-CB 3.44Å; M50-K53 PolarHBondContact O-N 3.38Å; E51-K53 VanDerWaalsContact C-N 3.3Å; K53-A55 VanDerWaalsContact C-N 3.31Å; K53-A55 PolarHBondContact O-N 3.31Å; K53-I56 PolarHBondContact O-N 2.75Å; K53-A57 VanDerWaalsContact O-CB 3.27Å; K53-A57 WeakPolarHBondContact O-CB 3.25Å; K53-A57 PolarHBondContact O-N 3.42Å; K53-D212 VanDerWaalsContact NZ-CG 3.33Å; K53-D212 IonicContact NZ-OD1 2.58Å; K53-D212 PolarHBondContact NZ-OD1 2.96Å; K53-D212 IonicContact NZ-OD2 3.52Å; K53-D212 PolarHBondContact NZ-OD2 2.82Å; K53-D212 VanDerWaalsContact NZ-OD2 3.14Å
54A97.9Very high95.2Very high4 Ų442.2 Ų42.23%0.03323%0.231CC..Hα-helixtrans-57.5-46.9179.200000111S35 D37 G52 N58 T84S35-A54 WeakPolarHBondContact CB-O 3.46Å; D37-A54 WeakPolarHBondContact OD1-CB 3.48Å; D37-A54 PolarHBondContact OD1-N 3.47Å; G52-A54 VanDerWaalsContact C-N 3.25Å; G52-A54 PolarHBondContact O-N 3.08Å; A54-N58 VanDerWaalsContact O-CB 3.24Å; A54-N58 WeakPolarHBondContact O-CB 3.47Å; A54-N58 PolarHBondContact O-N 3.05Å; A54-T84 HydrophobicContact CB-CG2 3.81Å
55A98.3Very high96.2Very high26 Ų2640.7 Ų40.722%0.21522%0.218CC..Hα-helixtrans-66.5-43.1179.700000111.5G52 K53 K59 E83 T84G52-A55 PolarHBondContact O-N 2.84Å; K53-A55 VanDerWaalsContact C-N 3.31Å; K53-A55 PolarHBondContact O-N 3.31Å; A55-K59 WeakPolarHBondContact O-CB 3.11Å; A55-K59 PolarHBondContact O-N 2.58Å; A55-E83 VanDerWaalsContact CA-O 3.3Å; A55-E83 WeakPolarHBondContact CA-O 3.34Å; A55-E83 HydrophobicContact CB-CB 4.36Å; A55-T84 HydrophobicContact CB-CG2 4.07Å
56I98.1Very high96.9Very high16 Ų1640.6 Ų40.68%0.08220%0.199CC..Hα-helixtrans-62.4-46.8177.5-67162.6000111.7G52 K53 T60 F249 E250G52-I56 WeakPolarHBondContact O-CG1 3.47Å; G52-I56 PolarHBondContact O-N 3.33Å; G52-I56 VanDerWaalsContact O-N 3.1Å; K53-I56 PolarHBondContact O-N 2.75Å; I56-T60 WeakPolarHBondContact O-CB 3.3Å; I56-T60 PolarHBondContact O-N 3.35Å; I56-T60 PolarHBondContact O-OG1 3.22Å; I56-F249 HydrophobicContact CD1-CB 4.37Å; I56-F249 HydrophobicContact CG2-CB 3.86Å; I56-F249 HydrophobicContact CG2-CD1 4.26Å; I56-F249 WeakPolarHBondContact CG2-O 3.42Å; I56-E250 HydrophobicContact CD1-CG 3.6Å; I56-E250 HydrophobicContact CG1-CG 4.36Å
57A98.2Very high97.3Very high7 Ų737.4 Ų37.46%0.05819%0.187CC..Hα-helixtrans-63.3-50.1179.300000110.9K53 K59 T60 T61 D210K53-A57 VanDerWaalsContact O-CB 3.27Å; K53-A57 WeakPolarHBondContact O-CB 3.25Å; K53-A57 PolarHBondContact O-N 3.42Å; A57-K59 PolarHBondContact O-N 2.78Å; A57-T60 PolarHBondContact O-N 2.95Å; A57-T61 PolarHBondContact O-N 3.48Å; A57-T61 PolarHBondContact O-OG1 3.44Å; A57-D210 HydrophobicContact CB-CB 4.19Å
58N98.6Very high97.6Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-59.2-46.6178.6-179.561000111.9A54 T60 T61 C62 S82 E83 A85 F86A54-N58 VanDerWaalsContact O-CB 3.24Å; A54-N58 WeakPolarHBondContact O-CB 3.47Å; A54-N58 PolarHBondContact O-N 3.05Å; N58-T60 VanDerWaalsContact C-N 3.35Å; N58-T60 PolarHBondContact O-N 3.46Å; N58-T61 PolarHBondContact O-N 2.95Å; N58-C62 WeakPolarHBondContact O-CB 3.37Å; N58-C62 PolarHBondContact O-N 2.84Å; N58-C62 PolarHBondContact O-SG 3.14Å; N58-S82 PolarHBondContact ND2-O 2.89Å; N58-E83 WeakPolarHBondContact CB-O 3.48Å; N58-E83 PolarHBondContact ND2-O 3.48Å; N58-A85 PolarHBondContact ND2-N 3.3Å; N58-A85 PolarHBondContact ND2-O 2.96Å; N58-A85 VanDerWaalsContact OD1-C 3.26Å; N58-F86 VanDerWaalsContact OD1-CD1 3.3Å; N58-F86 WeakPolarHBondContact OD1-CD1 3.32Å
59K98.6Very high97.8Very high57 Ų5731.7 Ų31.725%0.24816%0.161CC..Hα-helixtrans-58.8-45.6176177.5171.6169.5-177.80111.8A55 A57 C62 C63 S253 Q257A55-K59 WeakPolarHBondContact O-CB 3.11Å; A55-K59 PolarHBondContact O-N 2.58Å; A57-K59 PolarHBondContact O-N 2.78Å; K59-C62 PolarHBondContact O-N 2.96Å; K59-C63 PolarHBondContact O-N 2.84Å; K59-C63 PolarHBondContact O-SG 2.83Å; K59-S253 WeakPolarHBondContact CD-OG 2.86Å; K59-S253 WeakPolarHBondContact CE-O 3.3Å; K59-Q257 VanDerWaalsContact NZ-CD 3.25Å
60T98.7Very high98Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-61.2-49.4178.3-55.90000111I56 A57 N58 C63 V64 W214 V252 V256I56-T60 WeakPolarHBondContact O-CB 3.3Å; I56-T60 PolarHBondContact O-N 3.35Å; I56-T60 PolarHBondContact O-OG1 3.22Å; A57-T60 PolarHBondContact O-N 2.95Å; N58-T60 VanDerWaalsContact C-N 3.35Å; N58-T60 PolarHBondContact O-N 3.46Å; T60-C63 PolarHBondContact O-N 3Å; T60-V64 WeakPolarHBondContact O-CG2 3.37Å; T60-V64 PolarHBondContact O-N 3.44Å; T60-W214 HydrophobicContact CG2-CH2 4.13Å; T60-W214 HydrophobicContact CG2-CZ2 4.15Å; T60-V252 HydrophobicContact CG2-CG1 4.46Å; T60-V256 HydrophobicContact CG2-CG1 4.47Å; T60-V256 HydrophobicContact CG2-CG2 4.25Å
61T98.7Very high98.1Very high2 Ų228.4 Ų28.41%0.01215%0.147CC..Hα-helixtrans-62.7-43.7178.6-64.40000112.7A57 N58 C63 V64 F65 F86 V208 I209A57-T61 PolarHBondContact O-N 3.48Å; A57-T61 PolarHBondContact O-OG1 3.44Å; N58-T61 PolarHBondContact O-N 2.95Å; T61-C63 VanDerWaalsContact C-N 3.33Å; T61-C63 PolarHBondContact O-N 2.86Å; T61-V64 PolarHBondContact O-N 3.35Å; T61-F65 HydrophobicContact CG2-CD2 3.42Å; T61-F65 VanDerWaalsContact CG2-CD2 3.42Å; T61-F65 HydrophobicContact CG2-CE2 3.3Å; T61-F65 HydrophobicContact CG2-CG 4.31Å; T61-F65 HydrophobicContact CG2-CZ 4.07Å; T61-F65 WeakPolarHBondContact O-CB 2.9Å; T61-F65 PolarHBondContact O-N 3.44Å; T61-F86 HydrophobicContact CG2-CE1 4.05Å; T61-F86 HydrophobicContact CG2-CZ 4.15Å; T61-V208 HydrophobicContact CG2-CB 3.99Å; T61-V208 HydrophobicContact CG2-CG1 4.15Å; T61-I209 VanDerWaalsContact CA-O 3.22Å; T61-I209 WeakPolarHBondContact CA-O 3.24Å; T61-I209 PolarHBondContact N-O 3.13Å; T61-I209 PolarHBondContact OG1-O 2.91Å
62C98.7Very high98.2Very high7 Ų722.7 Ų22.75%0.04713%0.128CC..Hα-helixtrans-61-42.8177.4-690000111.6N58 K59 K66 F77 Q80N58-C62 WeakPolarHBondContact O-CB 3.37Å; N58-C62 PolarHBondContact O-N 2.84Å; N58-C62 PolarHBondContact O-SG 3.14Å; K59-C62 PolarHBondContact O-N 2.96Å; C62-K66 WeakPolarHBondContact O-CB 3.45Å; C62-K66 PolarHBondContact O-N 3.02Å; C62-F77 HydrophobicContact CB-CE2 4.13Å; C62-F77 HydrophobicContact CB-CZ 4.17Å; C62-Q80 HydrophobicContact CB-CB 4.31Å
63C98.7Very high98.3Very high13 Ų1322 Ų229%0.08812%0.119CC..Hα-helixtrans-66-45177.7-64.50000111.8K59 T60 T61 K66 L67 V256 L260K59-C63 PolarHBondContact O-N 2.84Å; K59-C63 PolarHBondContact O-SG 2.83Å; T60-C63 PolarHBondContact O-N 3Å; T61-C63 VanDerWaalsContact C-N 3.33Å; T61-C63 PolarHBondContact O-N 2.86Å; C63-K66 PolarHBondContact O-N 2.82Å; C63-L67 PolarHBondContact O-N 2.51Å; C63-V256 HydrophobicContact CB-CB 4.41Å; C63-V256 HydrophobicContact CB-CG1 3.87Å; C63-V256 HydrophobicContact CB-CG2 3.88Å; C63-L260 HydrophobicContact CB-CD1 4.3Å
64V98.8Very high98.4Very high1 Ų126.2 Ų26.21%0.00614%0.137CC..Hα-helixtrans-62.7-47.7178.31680000111.4T60 T61 K66 L67 L68 L176 I209 W214 V256T60-V64 WeakPolarHBondContact O-CG2 3.37Å; T60-V64 PolarHBondContact O-N 3.44Å; T61-V64 PolarHBondContact O-N 3.35Å; V64-K66 PolarHBondContact O-N 3.31Å; V64-L67 PolarHBondContact O-N 3Å; V64-L68 HydrophobicContact CG1-CD1 3.71Å; V64-L68 HydrophobicContact CG1-CG 4.45Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.27Å; V64-L68 PolarHBondContact O-N 2.86Å; V64-L176 HydrophobicContact CG1-CD1 4.21Å; V64-L176 HydrophobicContact CG1-CD2 3.91Å; V64-I209 HydrophobicContact CB-CB 4.44Å; V64-I209 HydrophobicContact CG1-CB 3.75Å; V64-I209 HydrophobicContact CG1-CD1 3.94Å; V64-I209 HydrophobicContact CG1-CG1 4.37Å; V64-I209 HydrophobicContact CG1-CG2 3.87Å; V64-W214 HydrophobicContact CG2-CH2 3.88Å; V64-W214 HydrophobicContact CG2-CZ3 3.96Å; V64-V256 HydrophobicContact CG2-CG2 3.78Å
65F98.8Very high98.4Very high2 Ų226.9 Ų26.91%0.00914%0.141CC..Hα-helixtrans-67-36.7179.2-74.6-28000112.7T61 L68 Q69 T75 F77 F86 L205 D207 I209T61-F65 HydrophobicContact CG2-CD2 3.42Å; T61-F65 VanDerWaalsContact CG2-CD2 3.42Å; T61-F65 HydrophobicContact CG2-CE2 3.3Å; T61-F65 HydrophobicContact CG2-CG 4.31Å; T61-F65 HydrophobicContact CG2-CZ 4.07Å; T61-F65 WeakPolarHBondContact O-CB 2.9Å; T61-F65 PolarHBondContact O-N 3.44Å; F65-L68 HydrophobicContact CD1-CD1 4.38Å; F65-L68 PolarHBondContact O-N 3.37Å; F65-Q69 WeakPolarHBondContact O-CB 3.22Å; F65-Q69 PolarHBondContact O-N 2.89Å; F65-T75 HydrophobicContact CD1-CG2 4.33Å; F65-F77 HydrophobicContact CB-CB 3.59Å; F65-F77 HydrophobicContact CB-CD1 3.96Å; F65-F77 HydrophobicContact CB-CD2 4.04Å; F65-F77 HydrophobicContact CB-CG 3.59Å; F65-F77 HydrophobicContact CD2-CB 3.64Å; F65-F77 AromaticContact CD2-CD2 3.83Å; F65-F77 HydrophobicContact CD2-CD2 3.83Å; F65-F77 AromaticContact CD2-CG 3.97Å; F65-F77 HydrophobicContact CD2-CG 3.97Å; F65-F77 HydrophobicContact CE2-CB 4.49Å; F65-F77 HydrophobicContact CG-CB 3.83Å; F65-F77 HydrophobicContact CG-CD2 4.44Å; F65-F77 HydrophobicContact CG-CG 4.21Å; F65-F86 HydrophobicContact CD2-CE2 4.5Å; F65-F86 HydrophobicContact CE2-CE2 4.29Å; F65-F86 HydrophobicContact CE2-CZ 4.17Å; F65-L205 HydrophobicContact CD1-CD2 4Å; F65-L205 HydrophobicContact CE1-CD2 3.65Å; F65-L205 HydrophobicContact CE1-CG 3.82Å; F65-D207 WeakPolarHBondContact CE2-O 3.35Å; F65-D207 WeakPolarHBondContact CZ-O 3.27Å; F65-I209 HydrophobicContact CE1-CD1 4.19Å; F65-I209 HydrophobicContact CE1-CG1 4.07Å
66K98.5Very high98.4Very high96 Ų9626 Ų2642%0.41713%0.133SC..Hα-helixtrans-60.1-47.4172.4-176.4172.8174.8-177.80111.5C62 C63 V64 L68 Q69 E70 L260C62-K66 WeakPolarHBondContact O-CB 3.45Å; C62-K66 PolarHBondContact O-N 3.02Å; C63-K66 PolarHBondContact O-N 2.82Å; V64-K66 PolarHBondContact O-N 3.31Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.1Å; K66-Q69 PolarHBondContact O-N 3.27Å; K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 HydrophobicContact CG-CG 4.33Å; K66-E70 WeakPolarHBondContact CG-OE1 3.21Å; K66-E70 IonicContact NZ-OE1 2.84Å; K66-E70 WeakPolarHBondContact O-CB 3.4Å; K66-E70 WeakPolarHBondContact O-CG 3.33Å; K66-E70 PolarHBondContact O-N 2.95Å; K66-L260 HydrophobicContact CB-CD2 4.27Å; K66-L260 HydrophobicContact CD-CD1 3.99Å; K66-L260 HydrophobicContact CD-CD2 4.46Å; K66-L260 HydrophobicContact CG-CD1 4.46Å; K66-L260 HydrophobicContact CG-CD2 4.12Å
67L98.7Very high98.5Very high2 Ų226 Ų261%0.0113%0.133CC..Hα-helixtrans-57-47.9176.4174.163.6000111.5C63 V64 S71 L176 A179 L259 L260 L397C63-L67 PolarHBondContact O-N 2.51Å; V64-L67 PolarHBondContact O-N 3Å; L67-S71 WeakPolarHBondContact O-CB 3.36Å; L67-S71 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-OG 3.33Å; L67-L176 HydrophobicContact CD2-CD2 4.13Å; L67-A179 HydrophobicContact CD2-CB 3.79Å; L67-L259 HydrophobicContact CD2-CB 4.24Å; L67-L260 HydrophobicContact CB-CD2 3.68Å; L67-L260 HydrophobicContact CD1-CD2 4.44Å; L67-L397 HydrophobicContact CD1-CD2 3.59Å
68L98.8Very high98.4Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-66.5-42.8-178.4-68.9167.7000111.6V64 F65 K66 S71 G72 I73 T75 I172 I175 L176 L205 I209V64-L68 HydrophobicContact CG1-CD1 3.71Å; V64-L68 HydrophobicContact CG1-CG 4.45Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.27Å; V64-L68 PolarHBondContact O-N 2.86Å; F65-L68 HydrophobicContact CD1-CD1 4.38Å; F65-L68 PolarHBondContact O-N 3.37Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.1Å; L68-S71 WeakPolarHBondContact O-CB 3.48Å; L68-S71 PolarHBondContact O-N 2.94Å; L68-G72 PolarHBondContact O-N 2.95Å; L68-G72 VanDerWaalsContact O-N 3.1Å; L68-I73 HydrophobicContact CB-CB 4.08Å; L68-I73 HydrophobicContact CB-CG1 4.35Å; L68-I73 HydrophobicContact CB-CG2 4.5Å; L68-I73 HydrophobicContact CD2-CG1 4.1Å; L68-I73 WeakPolarHBondContact O-CB 3Å; L68-I73 PolarHBondContact O-N 3.22Å; L68-T75 HydrophobicContact CB-CG2 4.19Å; L68-I172 HydrophobicContact CD1-CG2 4.01Å; L68-I172 HydrophobicContact CD2-CB 4.45Å; L68-I172 HydrophobicContact CD2-CG1 4.37Å; L68-I172 HydrophobicContact CD2-CG2 4Å; L68-I175 HydrophobicContact CD2-CB 4.18Å; L68-I175 HydrophobicContact CD2-CD1 4.41Å; L68-I175 HydrophobicContact CD2-CG2 3.62Å; L68-L176 HydrophobicContact CD2-CD2 4.38Å; L68-L176 HydrophobicContact CD2-CG 4.45Å; L68-L176 HydrophobicContact CG-CD2 4.44Å; L68-L205 HydrophobicContact CD1-CD2 3.6Å; L68-I209 HydrophobicContact CD1-CD1 4.05Å
69Q98.3Very high98.4Very high89 Ų8933.8 Ų33.842%0.41617%0.172SC..Hα-helixtrans-66.7-44.2178.5-169174.925.100111.6F65 K66 S71 G72 F77F65-Q69 WeakPolarHBondContact O-CB 3.22Å; F65-Q69 PolarHBondContact O-N 2.89Å; K66-Q69 PolarHBondContact O-N 3.27Å; Q69-S71 PolarHBondContact O-N 3.49Å; Q69-G72 WeakPolarHBondContact O-CA 3.47Å; Q69-G72 PolarHBondContact O-N 3.21Å; Q69-F77 PolarHBondContact NE2-O 3.05Å
70E97.4Very high98.3Very high90 Ų9035.5 Ų35.542%0.42118%0.181SC..Hα-helixtrans-64.7-27.9174.5-73.1179.1-179.600112.4K66 G72 K401K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 HydrophobicContact CG-CG 4.33Å; K66-E70 WeakPolarHBondContact CG-OE1 3.21Å; K66-E70 IonicContact NZ-OE1 2.84Å; K66-E70 WeakPolarHBondContact O-CB 3.4Å; K66-E70 WeakPolarHBondContact O-CG 3.33Å; K66-E70 PolarHBondContact O-N 2.95Å; E70-G72 VanDerWaalsContact C-N 3.3Å; E70-K401 PolarHBondContact O-NZ 3.01Å
71S98Very high98.1Very high9 Ų939 Ų396%0.06320%0.197CC..Hα-helixtrans-72.8-23.8171.4-58.40000112.4L67 L68 Q69 C400 K401 A404L67-S71 WeakPolarHBondContact O-CB 3.36Å; L67-S71 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-OG 3.33Å; L68-S71 WeakPolarHBondContact O-CB 3.48Å; L68-S71 PolarHBondContact O-N 2.94Å; Q69-S71 PolarHBondContact O-N 3.49Å; S71-C400 WeakPolarHBondContact OG-CB 3.37Å; S71-K401 WeakPolarHBondContact O-CA 3.28Å; S71-A404 WeakPolarHBondContact O-CB 3.41Å
72G98.1Very high98Very high31 Ų3140.9 Ų40.932%0.3221%0.21SC..THydrogen-bonded Turntrans106.312.7-179.300000114.6L68 Q69 E70 N408L68-G72 PolarHBondContact O-N 2.95Å; L68-G72 VanDerWaalsContact O-N 3.1Å; Q69-G72 WeakPolarHBondContact O-CA 3.47Å; Q69-G72 PolarHBondContact O-N 3.21Å; E70-G72 VanDerWaalsContact C-N 3.3Å; G72-N408 PolarHBondContact O-ND2 3.05Å
73I98.6Very high97.9Very high8 Ų847.7 Ų47.74%0.04124%0.241CC..  trans-75.1134.7169.8-58.1-60.4000109L68 T75 I172 I175 A404 L407L68-I73 HydrophobicContact CB-CB 4.08Å; L68-I73 HydrophobicContact CB-CG1 4.35Å; L68-I73 HydrophobicContact CB-CG2 4.5Å; L68-I73 HydrophobicContact CD2-CG1 4.1Å; L68-I73 WeakPolarHBondContact O-CB 3Å; L68-I73 PolarHBondContact O-N 3.22Å; I73-T75 HydrophobicContact CG2-CG2 4.2Å; I73-T75 PolarHBondContact O-N 3.29Å; I73-I172 HydrophobicContact CD1-CG1 4.48Å; I73-I172 HydrophobicContact CG1-CG1 4.45Å; I73-I172 HydrophobicContact CG2-CD1 4.1Å; I73-I172 HydrophobicContact CG2-CG1 3.94Å; I73-I175 HydrophobicContact CD1-CD1 3.85Å; I73-I175 HydrophobicContact CG1-CD1 3.78Å; I73-A404 HydrophobicContact CD1-CB 3.8Å; I73-A404 HydrophobicContact CG1-CB 4.28Å; I73-L407 HydrophobicContact CD1-CD2 3.77Å
74K98.1Very high97.9Very high90 Ų9049 Ų4939%0.39125%0.249SC..  trans-73.9118.3173.9-61.9-171.8175.8-169.40110.3E202 V204 L205K74-E202 WeakPolarHBondContact CD-OE2 3.44Å; K74-E202 IonicContact NZ-OE1 2.75Å; K74-E202 PolarHBondContact NZ-OE1 3.24Å; K74-E202 IonicContact NZ-OE2 3.18Å; K74-E202 PolarHBondContact NZ-OE2 3.32Å; K74-V204 HydrophobicContact CB-CG1 4.09Å; K74-L205 PolarHBondContact O-N 3.04Å
75T98.6Very high97.9Very high18 Ų1849 Ų4911%0.1125%0.249CC..BIsolated β-bridgetrans-125.6156179.368.20000110.4F65 L68 I73 F77 L205F65-T75 HydrophobicContact CD1-CG2 4.33Å; L68-T75 HydrophobicContact CB-CG2 4.19Å; I73-T75 HydrophobicContact CG2-CG2 4.2Å; I73-T75 PolarHBondContact O-N 3.29Å; T75-F77 PolarHBondContact O-N 3.42Å; T75-L205 CarbonylContact C-O 3.6Å; T75-L205 VanDerWaalsContact CA-O 3.32Å; T75-L205 WeakPolarHBondContact CA-O 3.48Å; T75-L205 HydrophobicContact CG2-CB 4.21Å; T75-L205 HydrophobicContact CG2-CD2 3.98Å
76A98.3Very high97.8Very high7 Ų749 Ų496%0.05825%0.249CC..SBendtrans-75.1-11.7171.400000112.3A88 A89 V204 L205A76-A88 HydrophobicContact CB-CB 4.46Å; A76-A88 CarbonylContact O-C 3.55Å; A76-A88 WeakPolarHBondContact O-CA 3.39Å; A76-A88 WeakPolarHBondContact O-CB 3.5Å; A76-A89 PolarHBondContact O-N 3.47Å; A76-V204 HydrophobicContact CB-CG2 3.99Å; A76-L205 PolarHBondContact N-O 2.85Å
77F98.5Very high97.8Very high16 Ų1644.5 Ų44.57%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-65.2133.1-177.6179.8-101.4000112.1C62 F65 Q69 T75 F86C62-F77 HydrophobicContact CB-CE2 4.13Å; C62-F77 HydrophobicContact CB-CZ 4.17Å; F65-F77 HydrophobicContact CB-CB 3.59Å; F65-F77 HydrophobicContact CB-CD1 3.96Å; F65-F77 HydrophobicContact CB-CD2 4.04Å; F65-F77 HydrophobicContact CB-CG 3.59Å; F65-F77 HydrophobicContact CD2-CB 3.64Å; F65-F77 AromaticContact CD2-CD2 3.83Å; F65-F77 HydrophobicContact CD2-CD2 3.83Å; F65-F77 AromaticContact CD2-CG 3.97Å; F65-F77 HydrophobicContact CD2-CG 3.97Å; F65-F77 HydrophobicContact CE2-CB 4.49Å; F65-F77 HydrophobicContact CG-CB 3.83Å; F65-F77 HydrophobicContact CG-CD2 4.44Å; F65-F77 HydrophobicContact CG-CG 4.21Å; Q69-F77 PolarHBondContact NE2-O 3.05Å; T75-F77 PolarHBondContact O-N 3.42Å; F77-F86 HydrophobicContact CD2-CB 4.42Å; F77-F86 AromaticContact CD2-CD2 3.53Å; F77-F86 HydrophobicContact CD2-CD2 3.53Å; F77-F86 HydrophobicContact CD2-CE2 4.02Å; F77-F86 HydrophobicContact CD2-CG 4.18Å; F77-F86 HydrophobicContact CE2-CB 3.93Å; F77-F86 AromaticContact CE2-CD2 3.93Å; F77-F86 HydrophobicContact CE2-CD2 3.93Å; F77-F86 HydrophobicContact CE2-CG 4.14Å
78V97.7Very high97.8Very high61 Ų6144.7 Ų44.737%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-106.1-63.7173.8179.80000109.8L30 T87L30-V78 HydrophobicContact CD2-CG2 3.93Å; V78-T87 WeakPolarHBondContact CB-O 3.36Å; V78-T87 PolarHBondContact N-O 3.1Å
79Q96.9Very high97.8Very high110 Ų11045.4 Ų45.451%0.51424%0.238SC..EExtended strand (participates in β ladder)trans-162.8155.3177.960.2-177.4-5.100111.6T87Q79-T87 VanDerWaalsContact CG-OG1 3.25Å; Q79-T87 WeakPolarHBondContact CG-OG1 3.46Å; Q79-T87 PolarHBondContact N-O 2.83Å; Q79-T87 PolarHBondContact N-OG1 3.45Å; Q79-T87 PolarHBondContact O-N 3.26Å; Q79-T87 PolarHBondContact O-OG1 3.07Å; Q79-T87 VanDerWaalsContact O-OG1 3.05Å
80Q97.3Very high97.8Very high93 Ų9344.4 Ų44.444%0.43523%0.233SC..EExtended strand (participates in β ladder)trans-64.5136.3166.8-173.1174.2-3.300109.7C62 S82C62-Q80 HydrophobicContact CB-CB 4.31Å; Q80-S82 WeakPolarHBondContact CG-O 3.4Å; Q80-S82 PolarHBondContact NE2-O 3.14Å
81H94.4Very high97.8Very high73 Ų7340.8 Ų40.834%0.33822%0.218SC..  trans-107.2-44.5179.7178.156.3000112.3L7 L32 A85 T87L7-H81 HydrophobicContact CD1-CB 4.31Å; L7-H81 WeakPolarHBondContact CD1-CE1 3.48Å; L7-H81 VanDerWaalsContact CD1-CG 3.44Å; L7-H81 VanDerWaalsContact CD1-ND1 3.3Å; L7-H81 WeakPolarHBondContact CD1-ND1 3.36Å; L7-H81 WeakPolarHBondContact CD1-NE2 3.3Å; L7-H81 WeakPolarHBondContact CG-CE1 3.05Å; L32-H81 HydrophobicContact CD1-CB 4.1Å; H81-A85 PolarHBondContact N-O 3.04Å; H81-T87 HydrophobicContact CB-CG2 4.3Å
82S96.6Very high97.8Very high42 Ų4244.3 Ų44.329%0.29423%0.233SC..SBendtrans-141.1-175.6178.274.20000110.4N58 Q80 T84 A85N58-S82 PolarHBondContact ND2-O 2.89Å; Q80-S82 WeakPolarHBondContact CG-O 3.4Å; Q80-S82 PolarHBondContact NE2-O 3.14Å; S82-T84 PolarHBondContact O-N 2.74Å; S82-T84 PolarHBondContact OG-N 2.86Å; S82-A85 PolarHBondContact N-O 2.88Å; S82-A85 WeakPolarHBondContact OG-CB 3.22Å; S82-A85 PolarHBondContact OG-N 2.95Å
83E97.3Very high97.8Very high150 Ų15046.2 Ų46.270%0.70123%0.234SC*.SBendtrans-61-31.3173.1-66.4-171167.100112.2A55 N58A55-E83 VanDerWaalsContact CA-O 3.3Å; A55-E83 WeakPolarHBondContact CA-O 3.34Å; A55-E83 HydrophobicContact CB-CB 4.36Å; N58-E83 WeakPolarHBondContact CB-O 3.48Å; N58-E83 PolarHBondContact ND2-O 3.48Å
84T98Very high97.8Very high41 Ų4145.9 Ų45.925%0.25223%0.232SC..SBendtrans-115.91-172.859.60000114Q34 S35 A54 A55 S82Q34-T84 VanDerWaalsContact NE2-CB 3.32Å; Q34-T84 PolarHBondContact NE2-O 2.92Å; Q34-T84 PolarHBondContact NE2-OG1 3.35Å; S35-T84 WeakPolarHBondContact CB-O 3.25Å; S35-T84 PolarHBondContact N-O 3.38Å; A54-T84 HydrophobicContact CB-CG2 3.81Å; A55-T84 HydrophobicContact CB-CG2 4.07Å; S82-T84 PolarHBondContact O-N 2.74Å; S82-T84 PolarHBondContact OG-N 2.86Å
85A98.1Very high97.8Very high0 Ų043.2 Ų43.20%022%0.224CC..EExtended strand (participates in β ladder)trans-141.2153.9-179.700000114.3L32 V33 N58 H81 S82L32-A85 HydrophobicContact CD1-CB 3.91Å; L32-A85 HydrophobicContact CD2-CB 4.45Å; L32-A85 HydrophobicContact CG-CB 4.15Å; V33-A85 WeakPolarHBondContact O-CA 3.3Å; V33-A85 WeakPolarHBondContact O-CB 3.41Å; N58-A85 PolarHBondContact ND2-N 3.3Å; N58-A85 PolarHBondContact ND2-O 2.96Å; N58-A85 VanDerWaalsContact OD1-C 3.26Å; H81-A85 PolarHBondContact N-O 3.04Å; S82-A85 PolarHBondContact N-O 2.88Å; S82-A85 WeakPolarHBondContact OG-CB 3.22Å; S82-A85 PolarHBondContact OG-N 2.95Å
86F98.4Very high97.8Very high3 Ų342.3 Ų42.31%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-137.1160.1171.371.3-85.6000111.2V33 N58 T61 F65 F77 A88 V208V33-F86 HydrophobicContact CB-CD1 3.9Å; V33-F86 HydrophobicContact CB-CD2 4.42Å; V33-F86 HydrophobicContact CB-CE1 3.56Å; V33-F86 HydrophobicContact CB-CE2 4.11Å; V33-F86 HydrophobicContact CB-CG 4.34Å; V33-F86 HydrophobicContact CB-CZ 3.68Å; V33-F86 HydrophobicContact CG1-CD1 4.23Å; V33-F86 HydrophobicContact CG1-CE1 3.5Å; V33-F86 HydrophobicContact CG1-CZ 3.75Å; V33-F86 HydrophobicContact CG2-CD2 4.4Å; V33-F86 HydrophobicContact CG2-CE1 4.18Å; V33-F86 HydrophobicContact CG2-CE2 3.87Å; V33-F86 HydrophobicContact CG2-CZ 3.75Å; V33-F86 PolarHBondContact N-O 2.89Å; V33-F86 PolarHBondContact O-N 2.99Å; V33-F86 VanDerWaalsContact O-N 3.13Å; N58-F86 VanDerWaalsContact OD1-CD1 3.3Å; N58-F86 WeakPolarHBondContact OD1-CD1 3.32Å; T61-F86 HydrophobicContact CG2-CE1 4.05Å; T61-F86 HydrophobicContact CG2-CZ 4.15Å; F65-F86 HydrophobicContact CD2-CE2 4.5Å; F65-F86 HydrophobicContact CE2-CE2 4.29Å; F65-F86 HydrophobicContact CE2-CZ 4.17Å; F77-F86 HydrophobicContact CD2-CB 4.42Å; F77-F86 AromaticContact CD2-CD2 3.53Å; F77-F86 HydrophobicContact CD2-CD2 3.53Å; F77-F86 HydrophobicContact CD2-CE2 4.02Å; F77-F86 HydrophobicContact CD2-CG 4.18Å; F77-F86 HydrophobicContact CE2-CB 3.93Å; F77-F86 AromaticContact CE2-CD2 3.93Å; F77-F86 HydrophobicContact CE2-CD2 3.93Å; F77-F86 HydrophobicContact CE2-CG 4.14Å; F86-A88 HydrophobicContact CD2-CB 4.31Å; F86-A88 HydrophobicContact CE2-CB 3.91Å; F86-V208 HydrophobicContact CE1-CG1 4.13Å; F86-V208 HydrophobicContact CZ-CG1 4.23Å
87T98.2Very high97.8Very high1 Ų143.2 Ų43.21%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-96.6139.9174.755.10000110.4L7 L24 V31 L32 V78 Q79 H81L7-T87 HydrophobicContact CD1-CG2 3.81Å; L24-T87 HydrophobicContact CD1-CG2 3.86Å; V31-T87 WeakPolarHBondContact O-CA 3.39Å; L32-T87 HydrophobicContact CD1-CG2 4.19Å; V78-T87 WeakPolarHBondContact CB-O 3.36Å; V78-T87 PolarHBondContact N-O 3.1Å; Q79-T87 VanDerWaalsContact CG-OG1 3.25Å; Q79-T87 WeakPolarHBondContact CG-OG1 3.46Å; Q79-T87 PolarHBondContact N-O 2.83Å; Q79-T87 PolarHBondContact N-OG1 3.45Å; Q79-T87 PolarHBondContact O-N 3.26Å; Q79-T87 PolarHBondContact O-OG1 3.07Å; Q79-T87 VanDerWaalsContact O-OG1 3.05Å; H81-T87 HydrophobicContact CB-CG2 4.3Å
88A98.4Very high97.8Very high6 Ų642.4 Ų42.45%0.0522%0.219CC..EExtended strand (participates in β ladder)trans-137.1155-179.900000111.3L30 V31 V33 A76 F86L30-A88 CarbonylContact C-O 3.59Å; L30-A88 VanDerWaalsContact CA-O 3.28Å; L30-A88 WeakPolarHBondContact CA-O 3.23Å; V31-A88 HydrophobicContact CG2-CB 4.22Å; V31-A88 PolarHBondContact N-O 3.13Å; V31-A88 PolarHBondContact O-N 3.46Å; V33-A88 HydrophobicContact CG2-CB 4.07Å; A76-A88 HydrophobicContact CB-CB 4.46Å; A76-A88 CarbonylContact O-C 3.55Å; A76-A88 WeakPolarHBondContact O-CA 3.39Å; A76-A88 WeakPolarHBondContact O-CB 3.5Å; F86-A88 HydrophobicContact CD2-CB 4.31Å; F86-A88 HydrophobicContact CE2-CB 3.91Å
89A98Very high97.9Very high16 Ų1640.1 Ų40.113%0.13221%0.205CC..EExtended strand (participates in β ladder)trans-62.8133.7165.300000109.9L30 A76 C91 N197L30-A89 HydrophobicContact CD2-CB 4.4Å; A76-A89 PolarHBondContact O-N 3.47Å; A89-C91 PolarHBondContact O-N 2.79Å; A89-C91 PolarHBondContact O-SG 3.38Å; A89-N197 WeakPolarHBondContact CB-ND2 3.39Å
90H97.9Very high98Very high67 Ų6734.9 Ų34.931%0.3118%0.18SC..  trans-65.2126.9176-172.4-152.4000109.7G29 V31 V198G29-H90 WeakPolarHBondContact O-CB 3.47Å; G29-H90 PolarHBondContact O-N 2.97Å; V31-H90 HydrophobicContact CG1-CB 3.91Å; H90-V198 HydrophobicContact CB-CG2 3.92Å; H90-V198 WeakPolarHBondContact O-CG2 3.21Å; H90-V198 PolarHBondContact O-N 2.74Å; H90-V198 VanDerWaalsContact O-N 3.08Å
91C98.1Very high98.1Very high15 Ų1530.8 Ų30.810%0.10116%0.161CC..EExtended strand (participates in β ladder)trans-130.4143.1-179.5-59.40000110.6A89 M93 V196A89-C91 PolarHBondContact O-N 2.79Å; A89-C91 PolarHBondContact O-SG 3.38Å; C91-M93 HydrophobicContact CB-SD 4.49Å; C91-V196 CarbonylContact C-O 3.54Å; C91-V196 WeakPolarHBondContact CA-O 3.35Å
92E98.3Very high98.3Very high83 Ų8328.6 Ų28.639%0.38815%0.15SC..EExtended strand (participates in β ladder)trans-81.4116.3161.1-73.5-176.5-152.100108.4L152 A153 G195 V196 V198E92-L152 HydrophobicContact CB-CB 4.03Å; E92-L152 HydrophobicContact CB-CD2 3.98Å; E92-L152 VanDerWaalsContact OE2-CA 3.25Å; E92-L152 WeakPolarHBondContact OE2-CA 3.49Å; E92-A153 HydrophobicContact CB-CB 4.49Å; E92-A153 HydrophobicContact CG-CB 4.38Å; E92-A153 PolarHBondContact OE1-N 2.67Å; E92-A153 PolarHBondContact OE2-N 3Å; E92-G195 CarbonylContact O-C 3.48Å; E92-G195 VanDerWaalsContact O-CA 3.32Å; E92-G195 WeakPolarHBondContact O-CA 3.42Å; E92-V196 PolarHBondContact N-O 3.01Å; E92-V196 PolarHBondContact O-N 2.9Å; E92-V198 HydrophobicContact CG-CG1 4.2Å
93M98.3Very high98.4Very high71 Ų7126.9 Ų26.935%0.3514%0.137SC..EExtended strand (participates in β ladder)trans-74.6133.1-171.9-65.1-59.6-6000111.5C91 E193 D207C91-M93 HydrophobicContact CB-SD 4.49Å; M93-E193 HydrophobicContact CE-CB 3.85Å; M93-D207 HydrophobicContact CE-CB 3.99Å
94I98.6Very high98.4Very high0 Ų019.7 Ų19.70%010%0.104CC..PPolyproline II helixtrans-77.7123.2171.8-59.2168.1000107I96 L152 I157 M165 F194 V196I94-I96 HydrophobicContact CG2-CB 4.33Å; I94-I96 HydrophobicContact CG2-CG1 4.12Å; I94-I96 PolarHBondContact O-N 2.98Å; I94-L152 HydrophobicContact CB-CD1 4.08Å; I94-L152 HydrophobicContact CG1-CD1 3.44Å; I94-L152 VanDerWaalsContact CG1-CD1 3.44Å; I94-L152 HydrophobicContact CG2-CD1 4.5Å; I94-I157 HydrophobicContact CD1-CD1 3.85Å; I94-I157 HydrophobicContact CG1-CD1 4.29Å; I94-M165 HydrophobicContact CD1-CE 4.01Å; I94-M165 HydrophobicContact CD1-SD 3.37Å; I94-M165 WeakPolarHBondContact CD1-SD 3.49Å; I94-M165 HydrophobicContact CG2-SD 4.39Å; I94-F194 HydrophobicContact CD1-CB 4.08Å; I94-F194 PolarHBondContact N-O 3.17Å; I94-V196 HydrophobicContact CD1-CG2 4.28Å; I94-V196 HydrophobicContact CG1-CG2 4.37Å
95P97.9Very high98.4Very high34 Ų3418 Ų1822%0.2219%0.093CC..SBendtrans-79.446.1-170.934.4-38.1000112.9F130 K131 F150P95-F130 HydrophobicContact CB-CD2 4.5Å; P95-F130 HydrophobicContact CB-CE2 4.1Å; P95-F130 HydrophobicContact CG-CE2 4.04Å; P95-F130 WeakPolarHBondContact O-CD2 3.48Å; P95-K131 HydrophobicContact CB-CB 4.39Å; P95-K131 PolarHBondContact O-N 3.05Å; P95-F150 HydrophobicContact CG-CD1 4.24Å; P95-F150 HydrophobicContact CG-CE1 3.71Å; P95-F150 HydrophobicContact CG-CE2 4.11Å; P95-F150 HydrophobicContact CG-CZ 3.64Å
96I98.7Very high98.4Very high0 Ų019.1 Ų19.10%011%0.105CC..EExtended strand (participates in β ladder)trans-126.8128.8179.3-58.6-64.1000109.5I94 W98 M128 F129 F130 W140 V145 F150I94-I96 HydrophobicContact CG2-CB 4.33Å; I94-I96 HydrophobicContact CG2-CG1 4.12Å; I94-I96 PolarHBondContact O-N 2.98Å; I96-W98 HydrophobicContact CG2-CD2 4.24Å; I96-W98 HydrophobicContact CG2-CG 4.39Å; I96-W98 HydrophobicContact CG2-CZ2 4.28Å; I96-M128 HydrophobicContact CG2-CB 3.85Å; I96-M128 HydrophobicContact CG2-CG 3.96Å; I96-F129 CarbonylContact C-O 3.39Å; I96-F129 WeakPolarHBondContact CA-O 3.42Å; I96-F130 HydrophobicContact CD1-CB 4.29Å; I96-F130 HydrophobicContact CD1-CD2 4.16Å; I96-W140 HydrophobicContact CD1-CE3 3.92Å; I96-W140 HydrophobicContact CD1-CZ3 4.31Å; I96-V145 HydrophobicContact CD1-CG2 3.9Å; I96-V145 HydrophobicContact CG1-CG2 4.28Å; I96-F150 HydrophobicContact CD1-CE2 4.4Å; I96-F150 HydrophobicContact CG1-CE2 4.49Å
97E98.7Very high98.3Very high25 Ų2521.2 Ų21.212%0.11712%0.12CC..EExtended strand (participates in β ladder)trans-85.9114.9167-53.5-155.5139.400109.7M128 F129 K131 K191E97-M128 WeakPolarHBondContact O-CA 3.47Å; E97-F129 HydrophobicContact CB-CB 4.16Å; E97-F129 PolarHBondContact N-O 3.1Å; E97-F129 PolarHBondContact O-N 3.47Å; E97-K131 HydrophobicContact CG-CD 4.28Å; E97-K131 HydrophobicContact CG-CG 3.65Å; E97-K131 IonicContact OE1-NZ 3.14Å; E97-K131 PolarHBondContact OE1-NZ 3.01Å; E97-K191 HydrophobicContact CB-CD 3.82Å; E97-K191 HydrophobicContact CB-CG 3.91Å; E97-K191 HydrophobicContact CG-CD 3.97Å; E97-K191 IonicContact OE1-NZ 2.94Å; E97-K191 PolarHBondContact OE1-NZ 3.47Å; E97-K191 WeakPolarHBondContact OE2-CD 3.11Å; E97-K191 IonicContact OE2-NZ 3.34Å
98W98.9Very high98.3Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-92.1111.5177.4-66.988.4000109.7I96 M126 M128 V162 M165 N166 T169 K191 I192 F194I96-W98 HydrophobicContact CG2-CD2 4.24Å; I96-W98 HydrophobicContact CG2-CG 4.39Å; I96-W98 HydrophobicContact CG2-CZ2 4.28Å; W98-M126 HydrophobicContact CE3-CE 3.66Å; W98-M126 HydrophobicContact CZ3-CE 4.33Å; W98-M128 HydrophobicContact CD2-CG 4.15Å; W98-M128 HydrophobicContact CE3-CG 3.48Å; W98-M128 VanDerWaalsContact CE3-CG 3.48Å; W98-M128 HydrophobicContact CE3-SD 4.21Å; W98-M128 HydrophobicContact CH2-CG 3.67Å; W98-M128 HydrophobicContact CH2-SD 3.27Å; W98-M128 WeakPolarHBondContact CH2-SD 3.22Å; W98-M128 HydrophobicContact CZ2-CG 4.29Å; W98-M128 HydrophobicContact CZ2-SD 4.13Å; W98-M128 HydrophobicContact CZ3-CE 4.41Å; W98-M128 HydrophobicContact CZ3-CG 3.17Å; W98-M128 HydrophobicContact CZ3-SD 3.28Å; W98-M128 WeakPolarHBondContact CZ3-SD 3.36Å; W98-V162 HydrophobicContact CH2-CG1 4.1Å; W98-M165 HydrophobicContact CD2-CB 4.28Å; W98-M165 HydrophobicContact CH2-CB 3.97Å; W98-M165 HydrophobicContact CZ2-CB 3.44Å; W98-M165 VanDerWaalsContact CZ2-CB 3.44Å; W98-M165 HydrophobicContact CZ2-CE 3.78Å; W98-M165 HydrophobicContact CZ2-CG 4.21Å; W98-M165 HydrophobicContact CZ2-SD 3.75Å; W98-N166 HydrophobicContact CZ3-CB 4.38Å; W98-N166 WeakPolarHBondContact CZ3-OD1 3.35Å; W98-T169 HydrophobicContact CB-CG2 4.02Å; W98-T169 WeakPolarHBondContact CB-OG1 2.89Å; W98-K191 WeakPolarHBondContact O-CA 2.83Å; W98-I192 HydrophobicContact CB-CG1 3.99Å; W98-I192 PolarHBondContact N-O 3.48Å; W98-I192 PolarHBondContact O-N 3.48Å; W98-F194 HydrophobicContact CB-CE2 4.38Å; W98-F194 AromaticContact CD1-CD2 3.45Å; W98-F194 VanDerWaalsContact CD1-CD2 3.45Å; W98-F194 AromaticContact CD1-CE2 3.8Å; W98-F194 HydrophobicContact CD2-CE2 4.5Å; W98-F194 HydrophobicContact CG-CD2 4.08Å; W98-F194 AromaticContact CG-CE2 3.95Å; W98-F194 HydrophobicContact CG-CE2 3.95Å; W98-F194 AromaticContact NE1-CD2 3.62Å
99V98.9Very high98.3Very high13 Ų1323.3 Ų23.38%0.07913%0.129CC..EExtended strand (participates in β ladder)trans-108132-178.2179.80000110.4R101 E127 F129 M190 K191V99-R101 HydrophobicContact CG1-CG 4.22Å; V99-E127 HydrophobicContact CB-CB 4.43Å; V99-E127 PolarHBondContact N-O 2.85Å; V99-E127 PolarHBondContact O-N 3.28Å; V99-F129 HydrophobicContact CB-CD2 4.26Å; V99-F129 HydrophobicContact CB-CE2 3.84Å; V99-F129 HydrophobicContact CG2-CD2 3.63Å; V99-F129 HydrophobicContact CG2-CE2 3.61Å; V99-M190 VanDerWaalsContact CA-O 3.29Å; V99-M190 WeakPolarHBondContact CA-O 3.22Å; V99-K191 HydrophobicContact CG2-CB 4.17Å; V99-K191 HydrophobicContact CG2-CG 3.97Å
100C98.6Very high98.3Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-124.4136.8177.2-1690000110.3K125 M126 T169 F173 D189 M190C100-K125 CarbonylContact C-O 3.43Å; C100-K125 WeakPolarHBondContact CA-O 3.36Å; C100-M126 HydrophobicContact CB-SD 3.75Å; C100-T169 HydrophobicContact CB-CG2 3.89Å; C100-F173 HydrophobicContact CB-CB 4.07Å; C100-F173 HydrophobicContact CB-CD2 3.88Å; C100-F173 HydrophobicContact CB-CG 4.13Å; C100-D189 CarbonylContact O-C 3.6Å; C100-D189 WeakPolarHBondContact O-CA 3.08Å; C100-D189 WeakPolarHBondContact O-CB 2.76Å; C100-M190 PolarHBondContact N-O 3.4Å; C100-M190 PolarHBondContact O-N 3.34Å
101R98.9Very high98.3Very high6 Ų632 Ų322%0.02316%0.161CC..EExtended strand (participates in β ladder)trans-130.6132.6-175.3-44.7-172.4-176.1-82.2-6.2112.6V99 S107 F121 L124 K125 E127 D189V99-R101 HydrophobicContact CG1-CG 4.22Å; R101-S107 PolarHBondContact NH2-OG 2.9Å; R101-F121 HydrophobicContact CB-CD2 3.94Å; R101-F121 HydrophobicContact CB-CE2 4.04Å; R101-L124 VanDerWaalsContact O-CD2 3.31Å; R101-L124 WeakPolarHBondContact O-CD2 3.42Å; R101-K125 HydrophobicContact CB-CB 4.35Å; R101-K125 PolarHBondContact N-O 3.43Å; R101-K125 PolarHBondContact O-N 3.09Å; R101-E127 IonicContact CZ-OE2 2.76Å; R101-E127 IonicContact NE-OE2 3.43Å; R101-E127 PolarHBondContact NE-OE2 3.17Å; R101-E127 IonicContact NH2-OE2 3.53Å; R101-E127 PolarHBondContact NH2-OE2 3.5Å; R101-D189 HydrophobicContact CB-CB 4.07Å; R101-D189 HydrophobicContact CG-CB 3.82Å; R101-D189 IonicContact NH1-OD2 3.93Å; R101-D189 PolarHBondContact NH1-OD2 3.33Å
102R98.8Very high98.3Very high28 Ų2834.1 Ų34.111%0.10617%0.171CC..EExtended strand (participates in β ladder)trans-92.1-37.6162.6179.762.970.3-157.3-1112R120 F121 L124 F173 E177 V188R102-R120 CarbonylContact O-C 3.48Å; R102-R120 WeakPolarHBondContact O-CA 3.46Å; R102-F121 PolarHBondContact NH1-O 3.02Å; R102-F121 PolarHBondContact O-N 3.06Å; R102-L124 HydrophobicContact CB-CD2 3.79Å; R102-F173 HydrophobicContact CB-CE1 3.89Å; R102-F173 HydrophobicContact CB-CZ 3.75Å; R102-E177 WeakPolarHBondContact CG-OE1 3.49Å; R102-E177 IonicContact CZ-OE1 3.25Å; R102-E177 IonicContact CZ-OE2 2.8Å; R102-E177 IonicContact NE-OE1 3.03Å; R102-E177 PolarHBondContact NE-OE1 2.89Å; R102-E177 IonicContact NE-OE2 3.19Å; R102-E177 PolarHBondContact NE-OE2 2.72Å; R102-E177 IonicContact NH2-OE1 3.61Å; R102-E177 IonicContact NH2-OE2 3.97Å; R102-E177 PolarHBondContact NH2-OE2 2.7Å; R102-V188 PolarHBondContact N-O 3.14Å
103V98.7Very high98.3Very high5 Ų535.8 Ų35.83%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-123.2134-176.2-177.60000110.1T105 G118 Y119 V188 W217V103-T105 PolarHBondContact O-N 3.47Å; V103-G118 VanDerWaalsContact CG1-CA 3.49Å; V103-Y119 CarbonylContact C-O 3.54Å; V103-Y119 WeakPolarHBondContact CA-O 3.24Å; V103-V188 HydrophobicContact CB-CG1 4.09Å; V103-V188 PolarHBondContact N-O 3.1Å; V103-W217 HydrophobicContact CG1-CH2 4.41Å; V103-W217 HydrophobicContact CG1-CZ3 4.24Å
104A98.6Very high98.3Very high0 Ų036 Ų360%021%0.21CC..  trans-70.8116174.800000110.1F108 L109 V115 E117 G118 Y119 F121A104-F108 HydrophobicContact CB-CD1 3.83Å; A104-F108 HydrophobicContact CB-CE1 4.18Å; A104-L109 HydrophobicContact CB-CD2 3.89Å; A104-V115 HydrophobicContact CB-CG1 4.07Å; A104-E117 WeakPolarHBondContact O-CA 3.21Å; A104-G118 PolarHBondContact O-N 3.24Å; A104-G118 VanDerWaalsContact O-N 3.15Å; A104-Y119 HydrophobicContact CB-CD1 4.4Å; A104-Y119 PolarHBondContact N-O 2.9Å; A104-F121 HydrophobicContact CB-CE2 3.8Å; A104-F121 HydrophobicContact CB-CZ 3.88Å
105T98.3Very high98.3Very high4 Ų438.5 Ų38.53%0.02523%0.225CC..  trans-154.7-179.4171.7-170.20000109.3V103 S107 F108 E117 V188 W217V103-T105 PolarHBondContact O-N 3.47Å; T105-S107 PolarHBondContact O-N 2.98Å; T105-F108 PolarHBondContact O-N 3.48Å; T105-E117 PolarHBondContact OG1-OE1 3.07Å; T105-V188 HydrophobicContact CG2-CG1 3.63Å; T105-W217 HydrophobicContact CG2-CH2 4.44Å; T105-W217 HydrophobicContact CG2-CZ2 4.24Å
106G96.4Very high98.3Very high24 Ų2445.2 Ų45.225%0.24725%0.251CS..THydrogen-bonded Turntrans57.7-133.6171.200000114F108 L109G106-F108 PolarHBondContact O-N 3.2Å; G106-L109 PolarHBondContact O-N 2.8Å
107S97.3Very high98.3Very high47 Ų4749 Ų4933%0.32927%0.268SS..Hα-helixtrans-67.8-21.8-173.466.90000113.7R101 T105 L109 K110 R111R101-S107 PolarHBondContact NH2-OG 2.9Å; T105-S107 PolarHBondContact O-N 2.98Å; S107-L109 PolarHBondContact O-N 3.17Å; S107-K110 PolarHBondContact O-N 3.23Å; S107-R111 PolarHBondContact O-N 2.75Å; S107-R111 VanDerWaalsContact O-N 3.16Å; S107-R111 PolarHBondContact O-NH1 2.77Å; S107-R111 PolarHBondContact OG-NH1 2.9Å
108F98.6Very high98.1Very high13 Ų1349.7 Ų49.76%0.05728%0.282CS..Hα-helixtrans-61-45.4174.4-175.7-85.5000111.5A104 T105 G106 K110 R111 N112 V115 F121 K125A104-F108 HydrophobicContact CB-CD1 3.83Å; A104-F108 HydrophobicContact CB-CE1 4.18Å; T105-F108 PolarHBondContact O-N 3.48Å; G106-F108 PolarHBondContact O-N 3.2Å; F108-K110 VanDerWaalsContact C-N 3.31Å; F108-K110 PolarHBondContact O-N 2.98Å; F108-R111 PolarHBondContact O-N 2.79Å; F108-N112 HydrophobicContact CD1-CB 4.39Å; F108-N112 HydrophobicContact CE1-CB 3.93Å; F108-N112 HydrophobicContact CZ-CB 4.27Å; F108-N112 WeakPolarHBondContact O-CB 3.26Å; F108-N112 PolarHBondContact O-N 2.96Å; F108-N112 PolarHBondContact O-ND2 2.94Å; F108-V115 HydrophobicContact CE1-CB 4.33Å; F108-V115 HydrophobicContact CE1-CG1 4.07Å; F108-V115 HydrophobicContact CE1-CG2 4.23Å; F108-F121 HydrophobicContact CD1-CZ 4Å; F108-F121 HydrophobicContact CD2-CZ 4.12Å; F108-F121 HydrophobicContact CE1-CE1 4.25Å; F108-F121 AromaticContact CE1-CZ 3.58Å; F108-F121 HydrophobicContact CE1-CZ 3.58Å; F108-F121 HydrophobicContact CE2-CE1 4.14Å; F108-F121 AromaticContact CE2-CZ 3.68Å; F108-F121 HydrophobicContact CE2-CZ 3.68Å; F108-F121 HydrophobicContact CG-CZ 4.27Å; F108-F121 AromaticContact CZ-CE1 3.75Å; F108-F121 HydrophobicContact CZ-CE1 3.75Å; F108-F121 AromaticContact CZ-CZ 3.4Å; F108-F121 HydrophobicContact CZ-CZ 3.4Å; F108-F121 VanDerWaalsContact CZ-CZ 3.4Å; F108-K125 HydrophobicContact CE2-CG 4.23Å
109L98.4Very high98.1Very high38 Ų3856 Ų5620%0.19931%0.307CS..Hα-helixtrans-65.8-34.8-179.4-58.9180000112A104 G106 S107 N112 V115 E117A104-L109 HydrophobicContact CB-CD2 3.89Å; G106-L109 PolarHBondContact O-N 2.8Å; S107-L109 PolarHBondContact O-N 3.17Å; L109-N112 CarbonylContact O-C 3.15Å; L109-N112 PolarHBondContact O-N 2.91Å; L109-V115 HydrophobicContact CD2-CB 4.26Å; L109-V115 HydrophobicContact CD2-CG1 4.07Å; L109-E117 HydrophobicContact CD1-CB 3.71Å; L109-E117 HydrophobicContact CD1-CG 4.13Å
110K97.7Very high98.1Very high183 Ų18361.8 Ų61.880%0.79633%0.327SS*.Hα-helixtrans-64.7-40.5175.8-61.7-173.4-177.2-175.40112S107 F108S107-K110 PolarHBondContact O-N 3.23Å; F108-K110 VanDerWaalsContact C-N 3.31Å; F108-K110 PolarHBondContact O-N 2.98Å
111R98.3Very high98.1Very high83 Ų8362.7 Ų62.731%0.31333%0.331SS..Hα-helixtrans-77.9-21178.3-68.8-171.1-60.9-80.9-7.2113.4S107 F108 P113 E127 Q139S107-R111 PolarHBondContact O-N 2.75Å; S107-R111 VanDerWaalsContact O-N 3.16Å; S107-R111 PolarHBondContact O-NH1 2.77Å; S107-R111 PolarHBondContact OG-NH1 2.9Å; F108-R111 PolarHBondContact O-N 2.79Å; R111-P113 VanDerWaalsContact C-CD 3.49Å; R111-P113 WeakPolarHBondContact O-CD 3.21Å; R111-E127 IonicContact CZ-OE1 3.13Å; R111-E127 IonicContact NE-OE1 2.76Å; R111-E127 VanDerWaalsContact NH2-CD 3.33Å; R111-E127 IonicContact NH2-OE1 2.66Å; R111-E127 PolarHBondContact NH2-OE1 3.08Å; R111-E127 IonicContact NH2-OE2 2.64Å; R111-E127 PolarHBondContact NH2-OE2 3.38Å; R111-E127 VanDerWaalsContact NH2-OE2 3.1Å; R111-Q139 VanDerWaalsContact CD-OE1 3.23Å
112N98.4Very high98Very high60 Ų6068.3 Ų68.332%0.32137%0.366SS..SBendtrans-125.268.8-175-60.1-90.7000110.6F108 L109 G114 V115F108-N112 HydrophobicContact CD1-CB 4.39Å; F108-N112 HydrophobicContact CE1-CB 3.93Å; F108-N112 HydrophobicContact CZ-CB 4.27Å; F108-N112 WeakPolarHBondContact O-CB 3.26Å; F108-N112 PolarHBondContact O-N 2.96Å; F108-N112 PolarHBondContact O-ND2 2.94Å; L109-N112 CarbonylContact O-C 3.15Å; L109-N112 PolarHBondContact O-N 2.91Å; N112-G114 PolarHBondContact O-N 2.88Å; N112-V115 HydrophobicContact CB-CB 4.47Å; N112-V115 HydrophobicContact CB-CG2 3.9Å; N112-V115 PolarHBondContact O-N 3.34Å; N112-V115 VanDerWaalsContact O-N 3.17Å
113P98.1Very high97.9Very high117 Ų11772.4 Ų72.476%0.7640%0.397SS*.THydrogen-bonded Turntrans-58.3133.517925.9-34.3000110.5R111R111-P113 VanDerWaalsContact C-CD 3.49Å; R111-P113 WeakPolarHBondContact O-CD 3.21Å
114G97.9Very high97.9Very high77 Ų7772.9 Ų72.979%0.79440%0.399SS*.THydrogen-bonded Turntrans103.6-21.8-17500000114N112N112-G114 PolarHBondContact O-N 2.88Å
115V98.4Very high97.9Very high51 Ų5177 Ų7731%0.30942%0.417SS..PPolyproline II helixtrans-74.7132.4169.4-176.70000109.3A104 F108 L109 N112 Y119A104-V115 HydrophobicContact CB-CG1 4.07Å; F108-V115 HydrophobicContact CE1-CB 4.33Å; F108-V115 HydrophobicContact CE1-CG1 4.07Å; F108-V115 HydrophobicContact CE1-CG2 4.23Å; L109-V115 HydrophobicContact CD2-CB 4.26Å; L109-V115 HydrophobicContact CD2-CG1 4.07Å; N112-V115 HydrophobicContact CB-CB 4.47Å; N112-V115 HydrophobicContact CB-CG2 3.9Å; N112-V115 PolarHBondContact O-N 3.34Å; N112-V115 VanDerWaalsContact O-N 3.17Å; V115-Y119 HydrophobicContact CG1-CG 4.18Å
116K98Very high97.9Very high176 Ų17678.7 Ų78.777%0.76543%0.425SS*.PPolyproline II helixtrans-87.6145.4177.1-63.8-175.5-179-179.60110.9Y119K116-Y119 WeakPolarHBondContact O-CB 3.46Å; K116-Y119 PolarHBondContact O-N 3.32Å
117E97.6Very high98Very high79 Ų7977.9 Ų77.937%0.36942%0.415SS..THydrogen-bonded Turntrans-58.2140.8170.8-171.9160.2-173.900111A104 T105 L109 R222A104-E117 WeakPolarHBondContact O-CA 3.21Å; T105-E117 PolarHBondContact OG1-OE1 3.07Å; L109-E117 HydrophobicContact CD1-CB 3.71Å; L109-E117 HydrophobicContact CD1-CG 4.13Å; E117-R222 WeakPolarHBondContact OE1-CD 3.4Å; E117-R222 IonicContact OE1-CZ 3.67Å; E117-R222 IonicContact OE1-NE 2.81Å; E117-R222 PolarHBondContact OE1-NE 2.98Å; E117-R222 IonicContact OE1-NH1 3.69Å; E117-R222 PolarHBondContact OE1-NH1 3.5Å; E117-R222 IonicContact OE2-CZ 3.47Å; E117-R222 IonicContact OE2-NH1 3.13Å; E117-R222 PolarHBondContact OE2-NH1 2.95Å
118G96.1Very high98Very high39 Ų3976.4 Ų76.440%0.40240%0.403SS..THydrogen-bonded Turntrans92.6-9.6-175.300000114.2V103 A104 R120V103-G118 VanDerWaalsContact CG1-CA 3.49Å; A104-G118 PolarHBondContact O-N 3.24Å; A104-G118 VanDerWaalsContact O-N 3.15Å; G118-R120 PolarHBondContact O-N 3.49Å
119Y98.4Very high98Very high134 Ų13476.5 Ų76.553%0.52540%0.403SS..PPolyproline II helixtrans-54.7130172.3177.3-86.9000110.3V103 A104 V115 K116 F121V103-Y119 CarbonylContact C-O 3.54Å; V103-Y119 WeakPolarHBondContact CA-O 3.24Å; A104-Y119 HydrophobicContact CB-CD1 4.4Å; A104-Y119 PolarHBondContact N-O 2.9Å; V115-Y119 HydrophobicContact CG1-CG 4.18Å; K116-Y119 WeakPolarHBondContact O-CB 3.46Å; K116-Y119 PolarHBondContact O-N 3.32Å; Y119-F121 HydrophobicContact CD1-CD1 4.05Å; Y119-F121 AromaticContact CD1-CE1 3.77Å; Y119-F121 HydrophobicContact CD1-CE1 3.77Å; Y119-F121 HydrophobicContact CD1-CE2 4.48Å; Y119-F121 AromaticContact CD1-CZ 3.99Å; Y119-F121 HydrophobicContact CD1-CZ 3.99Å; Y119-F121 AromaticContact CE1-CD1 3.62Å; Y119-F121 HydrophobicContact CE1-CD1 3.62Å; Y119-F121 AromaticContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CG 4.35Å; Y119-F121 HydrophobicContact CE1-CZ 4.29Å
120R98.4Very high98Very high133 Ų13376.9 Ų76.950%0.50240%0.403SS..EExtended strand (participates in β ladder)trans-100.5131.8-175.8-62.7-171.368.783.3-2.1111.4R102 G118R102-R120 CarbonylContact O-C 3.48Å; R102-R120 WeakPolarHBondContact O-CA 3.46Å; G118-R120 PolarHBondContact O-N 3.49Å
121F98.8Very high98Very high20 Ų2071.8 Ų71.89%0.08838%0.381CS..EExtended strand (participates in β ladder)trans-90.6122.6173.9-59.5-73.3000110.8R101 R102 A104 F108 Y119 P123 K125R101-F121 HydrophobicContact CB-CD2 3.94Å; R101-F121 HydrophobicContact CB-CE2 4.04Å; R102-F121 PolarHBondContact NH1-O 3.02Å; R102-F121 PolarHBondContact O-N 3.06Å; A104-F121 HydrophobicContact CB-CE2 3.8Å; A104-F121 HydrophobicContact CB-CZ 3.88Å; F108-F121 HydrophobicContact CD1-CZ 4Å; F108-F121 HydrophobicContact CD2-CZ 4.12Å; F108-F121 HydrophobicContact CE1-CE1 4.25Å; F108-F121 AromaticContact CE1-CZ 3.58Å; F108-F121 HydrophobicContact CE1-CZ 3.58Å; F108-F121 HydrophobicContact CE2-CE1 4.14Å; F108-F121 AromaticContact CE2-CZ 3.68Å; F108-F121 HydrophobicContact CE2-CZ 3.68Å; F108-F121 HydrophobicContact CG-CZ 4.27Å; F108-F121 AromaticContact CZ-CE1 3.75Å; F108-F121 HydrophobicContact CZ-CE1 3.75Å; F108-F121 AromaticContact CZ-CZ 3.4Å; F108-F121 HydrophobicContact CZ-CZ 3.4Å; F108-F121 VanDerWaalsContact CZ-CZ 3.4Å; Y119-F121 HydrophobicContact CD1-CD1 4.05Å; Y119-F121 AromaticContact CD1-CE1 3.77Å; Y119-F121 HydrophobicContact CD1-CE1 3.77Å; Y119-F121 HydrophobicContact CD1-CE2 4.48Å; Y119-F121 AromaticContact CD1-CZ 3.99Å; Y119-F121 HydrophobicContact CD1-CZ 3.99Å; Y119-F121 AromaticContact CE1-CD1 3.62Å; Y119-F121 HydrophobicContact CE1-CD1 3.62Å; Y119-F121 AromaticContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CG 4.35Å; Y119-F121 HydrophobicContact CE1-CZ 4.29Å; F121-P123 CarbonylContact C-O 3.57Å; F121-P123 WeakPolarHBondContact CB-O 3.25Å; F121-K125 HydrophobicContact CB-CB 4.13Å; F121-K125 HydrophobicContact CD1-CB 3.73Å; F121-K125 HydrophobicContact CD1-CG 4.44Å; F121-K125 HydrophobicContact CD2-CB 3.85Å; F121-K125 HydrophobicContact CE1-CB 4.07Å; F121-K125 HydrophobicContact CE1-CG 4.34Å; F121-K125 HydrophobicContact CE2-CB 4.16Å; F121-K125 HydrophobicContact CG-CB 3.62Å; F121-K125 HydrophobicContact CZ-CB 4.28Å; F121-K125 HydrophobicContact CZ-CG 4.49Å
122T96.8Very high97.8Very high123 Ų12369.8 Ų69.876%0.75538%0.377SS*.EExtended strand (participates in β ladder)trans-138.6105.2172.5-54.50000108.9
123P96.4Very high97.4Very high115 Ų11571 Ų7175%0.74738%0.383SS*.EExtended strand (participates in β ladder)cis-69.3175.5-0.332.8-37000112.9F121F121-P123 CarbonylContact C-O 3.57Å; F121-P123 WeakPolarHBondContact CB-O 3.25Å
124L98.4Very high97.2Very high15 Ų1569.4 Ų69.48%0.07938%0.38CS..EExtended strand (participates in β ladder)trans-55.9143.7179.2-71.4162.6000112.3R101 R102 V170 F173 E174R101-L124 VanDerWaalsContact O-CD2 3.31Å; R101-L124 WeakPolarHBondContact O-CD2 3.42Å; R102-L124 HydrophobicContact CB-CD2 3.79Å; L124-V170 HydrophobicContact CD1-CG1 4.06Å; L124-F173 HydrophobicContact CD1-CB 4.19Å; L124-F173 HydrophobicContact CD1-CD1 3.35Å; L124-F173 HydrophobicContact CD1-CE1 4.05Å; L124-F173 HydrophobicContact CD1-CG 4.02Å; L124-F173 HydrophobicContact CD2-CD1 3.54Å; L124-F173 HydrophobicContact CD2-CE1 3.35Å; L124-F173 HydrophobicContact CD2-CG 4.38Å; L124-F173 HydrophobicContact CD2-CZ 4.08Å; L124-F173 HydrophobicContact CG-CD1 4.1Å; L124-F173 HydrophobicContact CG-CE1 4.36Å; L124-E174 HydrophobicContact CD1-CG 3.39Å
125K98.6Very high97Very high87 Ų8770.7 Ų70.738%0.37837%0.369SS..EExtended strand (participates in β ladder)trans-86.1121.5175.4179.664.7179.31790110C100 R101 F108 F121 E127C100-K125 CarbonylContact C-O 3.43Å; C100-K125 WeakPolarHBondContact CA-O 3.36Å; R101-K125 HydrophobicContact CB-CB 4.35Å; R101-K125 PolarHBondContact N-O 3.43Å; R101-K125 PolarHBondContact O-N 3.09Å; F108-K125 HydrophobicContact CE2-CG 4.23Å; F121-K125 HydrophobicContact CB-CB 4.13Å; F121-K125 HydrophobicContact CD1-CB 3.73Å; F121-K125 HydrophobicContact CD1-CG 4.44Å; F121-K125 HydrophobicContact CD2-CB 3.85Å; F121-K125 HydrophobicContact CE1-CB 4.07Å; F121-K125 HydrophobicContact CE1-CG 4.34Å; F121-K125 HydrophobicContact CE2-CB 4.16Å; F121-K125 HydrophobicContact CG-CB 3.62Å; F121-K125 HydrophobicContact CZ-CB 4.28Å; F121-K125 HydrophobicContact CZ-CG 4.49Å; K125-E127 HydrophobicContact CG-CG 4.31Å
126M98.1Very high96.8Very high38 Ų3874.2 Ų74.219%0.18739%0.386CS..EExtended strand (participates in β ladder)trans-96.5140.4171.6-77.3-61.9-54.100111.3W98 C100 T169 V170W98-M126 HydrophobicContact CE3-CE 3.66Å; W98-M126 HydrophobicContact CZ3-CE 4.33Å; C100-M126 HydrophobicContact CB-SD 3.75Å; M126-T169 VanDerWaalsContact CE-CB 3.49Å; M126-T169 HydrophobicContact CE-CG2 3.56Å; M126-T169 HydrophobicContact SD-CG2 3.58Å; M126-T169 VanDerWaalsContact SD-CG2 3.58Å; M126-V170 HydrophobicContact CG-CG2 3.53Å; M126-V170 HydrophobicContact SD-CG2 3.71Å
127E98.7Very high96.7Very high8 Ų867.1 Ų67.14%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-144.1150.1174.8-62.2179.6126.100110V99 R101 R111 K125 F129V99-E127 HydrophobicContact CB-CB 4.43Å; V99-E127 PolarHBondContact N-O 2.85Å; V99-E127 PolarHBondContact O-N 3.28Å; R101-E127 IonicContact CZ-OE2 2.76Å; R101-E127 IonicContact NE-OE2 3.43Å; R101-E127 PolarHBondContact NE-OE2 3.17Å; R101-E127 IonicContact NH2-OE2 3.53Å; R101-E127 PolarHBondContact NH2-OE2 3.5Å; R111-E127 IonicContact CZ-OE1 3.13Å; R111-E127 IonicContact NE-OE1 2.76Å; R111-E127 VanDerWaalsContact NH2-CD 3.33Å; R111-E127 IonicContact NH2-OE1 2.66Å; R111-E127 PolarHBondContact NH2-OE1 3.08Å; R111-E127 IonicContact NH2-OE2 2.64Å; R111-E127 PolarHBondContact NH2-OE2 3.38Å; R111-E127 VanDerWaalsContact NH2-OE2 3.1Å; K125-E127 HydrophobicContact CG-CG 4.31Å; E127-F129 HydrophobicContact CB-CE2 3.57Å; E127-F129 HydrophobicContact CB-CZ 3.96Å
128M98.8Very high96.7Very high15 Ų1565.6 Ų65.67%0.07435%0.353CS..EExtended strand (participates in β ladder)trans-118.8138.7175.8-70.1165.9-76.300110I96 E97 W98 Q139 W140 E142 V145I96-M128 HydrophobicContact CG2-CB 3.85Å; I96-M128 HydrophobicContact CG2-CG 3.96Å; E97-M128 WeakPolarHBondContact O-CA 3.47Å; W98-M128 HydrophobicContact CD2-CG 4.15Å; W98-M128 HydrophobicContact CE3-CG 3.48Å; W98-M128 VanDerWaalsContact CE3-CG 3.48Å; W98-M128 HydrophobicContact CE3-SD 4.21Å; W98-M128 HydrophobicContact CH2-CG 3.67Å; W98-M128 HydrophobicContact CH2-SD 3.27Å; W98-M128 WeakPolarHBondContact CH2-SD 3.22Å; W98-M128 HydrophobicContact CZ2-CG 4.29Å; W98-M128 HydrophobicContact CZ2-SD 4.13Å; W98-M128 HydrophobicContact CZ3-CE 4.41Å; W98-M128 HydrophobicContact CZ3-CG 3.17Å; W98-M128 HydrophobicContact CZ3-SD 3.28Å; W98-M128 WeakPolarHBondContact CZ3-SD 3.36Å; M128-Q139 CarbonylContact O-C 3.58Å; M128-Q139 WeakPolarHBondContact O-CA 3.42Å; M128-Q139 WeakPolarHBondContact O-CG 3.4Å; M128-W140 PolarHBondContact O-N 3.21Å; M128-E142 HydrophobicContact CE-CB 3.97Å; M128-V145 HydrophobicContact SD-CG2 3.73Å
129F98.7Very high96.8Very high15 Ų1567.7 Ų67.77%0.06635%0.353CS..EExtended strand (participates in β ladder)trans-129.3127.8173.9-55.4-97.3000109.4I96 E97 V99 E127 D137 P138 Q139I96-F129 CarbonylContact C-O 3.39Å; I96-F129 WeakPolarHBondContact CA-O 3.42Å; E97-F129 HydrophobicContact CB-CB 4.16Å; E97-F129 PolarHBondContact N-O 3.1Å; E97-F129 PolarHBondContact O-N 3.47Å; V99-F129 HydrophobicContact CB-CD2 4.26Å; V99-F129 HydrophobicContact CB-CE2 3.84Å; V99-F129 HydrophobicContact CG2-CD2 3.63Å; V99-F129 HydrophobicContact CG2-CE2 3.61Å; E127-F129 HydrophobicContact CB-CE2 3.57Å; E127-F129 HydrophobicContact CB-CZ 3.96Å; F129-D137 HydrophobicContact CB-CB 4.39Å; F129-D137 WeakPolarHBondContact CD1-O 3.43Å; F129-P138 WeakPolarHBondContact CA-O 3.41Å; F129-Q139 HydrophobicContact CD1-CB 3.85Å; F129-Q139 HydrophobicContact CD1-CG 4.38Å; F129-Q139 HydrophobicContact CE1-CB 3.68Å; F129-Q139 HydrophobicContact CE1-CG 4.01Å; F129-Q139 HydrophobicContact CZ-CB 4.49Å; F129-Q139 HydrophobicContact CZ-CG 4.35Å
130F98.5Very high96.8Very high46 Ų4663.5 Ų63.520%0.20234%0.336CS..EExtended strand (participates in β ladder)trans-74.3132.7177.3174.6-114.3000110.1P95 I96 D132 D137 P138 W140 F150P95-F130 HydrophobicContact CB-CD2 4.5Å; P95-F130 HydrophobicContact CB-CE2 4.1Å; P95-F130 HydrophobicContact CG-CE2 4.04Å; P95-F130 WeakPolarHBondContact O-CD2 3.48Å; I96-F130 HydrophobicContact CD1-CB 4.29Å; I96-F130 HydrophobicContact CD1-CD2 4.16Å; F130-D132 HydrophobicContact CD1-CB 3.76Å; F130-D132 HydrophobicContact CE1-CB 3.82Å; F130-D132 PolarHBondContact O-N 3.38Å; F130-D137 CarbonylContact O-C 3.58Å; F130-D137 WeakPolarHBondContact O-CA 3.39Å; F130-P138 HydrophobicContact CB-CG 4.45Å; F130-P138 PolarHBondContact N-O 3.04Å; F130-W140 HydrophobicContact CB-CD2 3.6Å; F130-W140 HydrophobicContact CB-CE3 4.25Å; F130-W140 HydrophobicContact CB-CG 3.81Å; F130-W140 HydrophobicContact CB-CH2 4.41Å; F130-W140 HydrophobicContact CB-CZ2 3.79Å; F130-W140 HydrophobicContact CD1-CH2 4.45Å; F130-W140 AromaticContact CD1-CZ2 3.72Å; F130-W140 HydrophobicContact CD1-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CE3 4.48Å; F130-W140 AromaticContact CD2-CH2 3.68Å; F130-W140 HydrophobicContact CD2-CH2 3.68Å; F130-W140 AromaticContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ3 4.08Å; F130-W140 HydrophobicContact CE1-CZ2 4.2Å; F130-W140 HydrophobicContact CE2-CH2 4.01Å; F130-W140 HydrophobicContact CE2-CZ2 4.22Å; F130-W140 HydrophobicContact CG-CD2 4.18Å; F130-W140 AromaticContact CG-CE2 3.58Å; F130-W140 AromaticContact CG-CH2 3.93Å; F130-W140 HydrophobicContact CG-CH2 3.93Å; F130-W140 AromaticContact CG-CZ2 3.45Å; F130-W140 HydrophobicContact CG-CZ2 3.45Å; F130-W140 VanDerWaalsContact CG-CZ2 3.45Å; F130-W140 HydrophobicContact CG-CZ3 4.47Å; F130-W140 AromaticContact CG-NE1 3.94Å; F130-W140 HydrophobicContact CZ-CZ2 4.44Å; F130-F150 HydrophobicContact CD2-CZ 4.29Å; F130-F150 AromaticContact CE2-CZ 3.94Å; F130-F150 HydrophobicContact CE2-CZ 3.94Å
131K96.6Very high96.8Very high76 Ų7659.2 Ų59.233%0.3333%0.326SS..  trans-72.3102.3-179.4-67-17276.373.60110P95 E97 D137 E193P95-K131 HydrophobicContact CB-CB 4.39Å; P95-K131 PolarHBondContact O-N 3.05Å; E97-K131 HydrophobicContact CG-CD 4.28Å; E97-K131 HydrophobicContact CG-CG 3.65Å; E97-K131 IonicContact OE1-NZ 3.14Å; E97-K131 PolarHBondContact OE1-NZ 3.01Å; K131-D137 WeakPolarHBondContact CA-OD1 3.43Å; K131-E193 WeakPolarHBondContact CD-OE2 3.42Å; K131-E193 WeakPolarHBondContact CE-OE2 3.39Å; K131-E193 IonicContact NZ-OE1 2.78Å; K131-E193 PolarHBondContact NZ-OE1 3.24Å; K131-E193 IonicContact NZ-OE2 3.82Å; K131-E193 PolarHBondContact NZ-OE2 3.05Å
132D95.1Very high96.8Very high42 Ų4261 Ų6123%0.22534%0.335CS..  trans-152.792.8179.5-175-4.3000109.7F130 A134 N135 N136 D137F130-D132 HydrophobicContact CD1-CB 3.76Å; F130-D132 HydrophobicContact CE1-CB 3.82Å; F130-D132 PolarHBondContact O-N 3.38Å; D132-A134 PolarHBondContact O-N 2.95Å; D132-A134 VanDerWaalsContact O-N 3.17Å; D132-A134 WeakPolarHBondContact OD1-CB 3.43Å; D132-A134 PolarHBondContact OD1-N 2.85Å; D132-A134 VanDerWaalsContact OD1-N 3.1Å; D132-N135 HydrophobicContact CB-CB 4.46Å; D132-N135 CarbonylContact O-C 3.38Å; D132-N135 PolarHBondContact O-N 3.48Å; D132-N135 VanDerWaalsContact O-N 3.07Å; D132-N135 PolarHBondContact OD1-N 3.2Å; D132-N135 WeakPolarHBondContact OD2-CB 3.3Å; D132-N135 PolarHBondContact OD2-ND2 2.81Å; D132-N136 PolarHBondContact O-N 3.35Å; D132-N136 VanDerWaalsContact O-N 3.1Å; D132-D137 PolarHBondContact N-OD1 3.26Å; D132-D137 PolarHBondContact O-N 3.19Å
133D89.9Confident96.9Very high84 Ų8461.4 Ų61.445%0.44933%0.328SS..G310 helixtrans-56.6-31.8179.8-86.3-28.1000112.2K17 N43 N135K17-D133 VanDerWaalsContact CE-OD2 3.3Å; K17-D133 WeakPolarHBondContact CE-OD2 3.42Å; K17-D133 IonicContact NZ-OD1 3.1Å; K17-D133 PolarHBondContact NZ-OD1 3.49Å; K17-D133 IonicContact NZ-OD2 3.73Å; K17-D133 PolarHBondContact NZ-OD2 2.94Å; N43-D133 PolarHBondContact ND2-O 2.73Å; D133-N135 VanDerWaalsContact C-N 3.32Å
134A92.8Very high97Very high84 Ų8460.3 Ų60.369%0.69431%0.313SS*.G310 helixtrans-70.6-30.3-178.800000112.2D132D132-A134 PolarHBondContact O-N 2.95Å; D132-A134 VanDerWaalsContact O-N 3.17Å; D132-A134 WeakPolarHBondContact OD1-CB 3.43Å; D132-A134 PolarHBondContact OD1-N 2.85Å; D132-A134 VanDerWaalsContact OD1-N 3.1Å
135N94.6Very high97Very high105 Ų10559.6 Ų59.656%0.56131%0.31SS*.G310 helixtrans-109.716.4-178.5-67.6-62.5000113.7D132 D133 D137 P138D132-N135 HydrophobicContact CB-CB 4.46Å; D132-N135 CarbonylContact O-C 3.38Å; D132-N135 PolarHBondContact O-N 3.48Å; D132-N135 VanDerWaalsContact O-N 3.07Å; D132-N135 PolarHBondContact OD1-N 3.2Å; D132-N135 WeakPolarHBondContact OD2-CB 3.3Å; D132-N135 PolarHBondContact OD2-ND2 2.81Å; D133-N135 VanDerWaalsContact C-N 3.32Å; N135-D137 VanDerWaalsContact C-N 3.35Å; N135-D137 PolarHBondContact O-N 3.03Å; N135-P138 HydrophobicContact CB-CG 4.47Å
136N93Very high97Very high125 Ų12557.6 Ų57.667%0.66830%0.303SS*.THydrogen-bonded Turntrans58.141.6179.2-57.2-71.9000114.2N43 D132N43-N136 WeakPolarHBondContact ND2-CA 3.21Å; N43-N136 PolarHBondContact ND2-OD1 3.25Å; D132-N136 PolarHBondContact O-N 3.35Å; D132-N136 VanDerWaalsContact O-N 3.1Å
137D96.1Very high97Very high26 Ų2659.3 Ų59.314%0.13932%0.323CS..  trans50.272.1178-57.5-38.3000112.8F129 F130 K131 D132 N135F129-D137 HydrophobicContact CB-CB 4.39Å; F129-D137 WeakPolarHBondContact CD1-O 3.43Å; F130-D137 CarbonylContact O-C 3.58Å; F130-D137 WeakPolarHBondContact O-CA 3.39Å; K131-D137 WeakPolarHBondContact CA-OD1 3.43Å; D132-D137 PolarHBondContact N-OD1 3.26Å; D132-D137 PolarHBondContact O-N 3.19Å; N135-D137 VanDerWaalsContact C-N 3.35Å; N135-D137 PolarHBondContact O-N 3.03Å
138P97.9Very high97Very high47 Ų4760.9 Ų60.931%0.30534%0.337SS..  trans-62.7142.1-173.726.8-34.5000111.4F129 F130 N135 W140F129-P138 WeakPolarHBondContact CA-O 3.41Å; F130-P138 HydrophobicContact CB-CG 4.45Å; F130-P138 PolarHBondContact N-O 3.04Å; N135-P138 HydrophobicContact CB-CG 4.47Å; P138-W140 PolarHBondContact O-N 2.77Å
139Q98.7Very high96.9Very high84 Ų8467.8 Ų67.839%0.39337%0.367SS..EExtended strand (participates in β ladder)trans-63131.1173.2-173.6171.82.700109.7R111 M128 F129R111-Q139 VanDerWaalsContact CD-OE1 3.23Å; M128-Q139 CarbonylContact O-C 3.58Å; M128-Q139 WeakPolarHBondContact O-CA 3.42Å; M128-Q139 WeakPolarHBondContact O-CG 3.4Å; F129-Q139 HydrophobicContact CD1-CB 3.85Å; F129-Q139 HydrophobicContact CD1-CG 4.38Å; F129-Q139 HydrophobicContact CE1-CB 3.68Å; F129-Q139 HydrophobicContact CE1-CG 4.01Å; F129-Q139 HydrophobicContact CZ-CB 4.49Å; F129-Q139 HydrophobicContact CZ-CG 4.35Å
140W98.7Very high96.9Very high45 Ų4569.1 Ų69.117%0.1737%0.373CS..EExtended strand (participates in β ladder)trans-109.8144.5173.5-84.924.2000111I96 M128 F130 P138 Q144 V145 A148 F150I96-W140 HydrophobicContact CD1-CE3 3.92Å; I96-W140 HydrophobicContact CD1-CZ3 4.31Å; M128-W140 PolarHBondContact O-N 3.21Å; F130-W140 HydrophobicContact CB-CD2 3.6Å; F130-W140 HydrophobicContact CB-CE3 4.25Å; F130-W140 HydrophobicContact CB-CG 3.81Å; F130-W140 HydrophobicContact CB-CH2 4.41Å; F130-W140 HydrophobicContact CB-CZ2 3.79Å; F130-W140 HydrophobicContact CD1-CH2 4.45Å; F130-W140 AromaticContact CD1-CZ2 3.72Å; F130-W140 HydrophobicContact CD1-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CE3 4.48Å; F130-W140 AromaticContact CD2-CH2 3.68Å; F130-W140 HydrophobicContact CD2-CH2 3.68Å; F130-W140 AromaticContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ3 4.08Å; F130-W140 HydrophobicContact CE1-CZ2 4.2Å; F130-W140 HydrophobicContact CE2-CH2 4.01Å; F130-W140 HydrophobicContact CE2-CZ2 4.22Å; F130-W140 HydrophobicContact CG-CD2 4.18Å; F130-W140 AromaticContact CG-CE2 3.58Å; F130-W140 AromaticContact CG-CH2 3.93Å; F130-W140 HydrophobicContact CG-CH2 3.93Å; F130-W140 AromaticContact CG-CZ2 3.45Å; F130-W140 HydrophobicContact CG-CZ2 3.45Å; F130-W140 VanDerWaalsContact CG-CZ2 3.45Å; F130-W140 HydrophobicContact CG-CZ3 4.47Å; F130-W140 AromaticContact CG-NE1 3.94Å; F130-W140 HydrophobicContact CZ-CZ2 4.44Å; P138-W140 PolarHBondContact O-N 2.77Å; W140-Q144 VanDerWaalsContact CA-OE1 3.29Å; W140-Q144 HydrophobicContact CB-CB 4.21Å; W140-Q144 HydrophobicContact CD2-CB 3.94Å; W140-Q144 HydrophobicContact CE3-CB 3.99Å; W140-Q144 HydrophobicContact CG-CB 4.06Å; W140-V145 HydrophobicContact CB-CG2 4.36Å; W140-V145 HydrophobicContact CE3-CB 4.49Å; W140-V145 HydrophobicContact CE3-CG2 3.85Å; W140-A148 HydrophobicContact CH2-CB 4.02Å; W140-A148 HydrophobicContact CZ3-CB 3.74Å; W140-F150 HydrophobicContact CH2-CZ 4.05Å; W140-F150 AromaticContact CZ3-CE2 3.92Å; W140-F150 HydrophobicContact CZ3-CE2 3.92Å; W140-F150 AromaticContact CZ3-CZ 3.88Å; W140-F150 HydrophobicContact CZ3-CZ 3.88Å
141S98.7Very high96.9Very high44 Ų4470.6 Ų70.631%0.30839%0.389SS..  trans-79.4166.7164.386.50000110.6E143 Q144 V145S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 WeakPolarHBondContact CB-OE2 3.22Å; S141-E143 PolarHBondContact O-N 2.79Å; S141-E143 PolarHBondContact OG-N 2.69Å; S141-E143 PolarHBondContact OG-OE2 2.8Å; S141-Q144 PolarHBondContact O-N 3.38Å; S141-Q144 PolarHBondContact OG-N 3.5Å; S141-V145 PolarHBondContact O-N 2.84Å
142E98.4Very high96.9Very high56 Ų5668 Ų6826%0.26238%0.379SS..Hα-helixtrans-60.4-42.5175.4-173.4163.112800111.5M128 Q144 V145 L146 Q159 V162 N166M128-E142 HydrophobicContact CE-CB 3.97Å; E142-Q144 VanDerWaalsContact C-N 3.27Å; E142-Q144 PolarHBondContact O-N 2.94Å; E142-V145 WeakPolarHBondContact O-CB 3.35Å; E142-V145 PolarHBondContact O-N 2.76Å; E142-V145 VanDerWaalsContact O-N 3.11Å; E142-L146 HydrophobicContact CG-CD1 4.07Å; E142-L146 HydrophobicContact CG-CG 4.47Å; E142-L146 VanDerWaalsContact O-CG 3.31Å; E142-L146 WeakPolarHBondContact O-CG 3.49Å; E142-L146 PolarHBondContact O-N 2.87Å; E142-Q159 PolarHBondContact OE1-NE2 3.34Å; E142-V162 HydrophobicContact CG-CG1 3.68Å; E142-N166 PolarHBondContact OE2-ND2 3.06Å
143E98.7Very high97Very high133 Ų13367 Ų6762%0.62138%0.375SS*.Hα-helixtrans-60.9-35.5178-57.181.1179.700112S141 L146 A147S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 WeakPolarHBondContact CB-OE2 3.22Å; S141-E143 PolarHBondContact O-N 2.79Å; S141-E143 PolarHBondContact OG-N 2.69Å; S141-E143 PolarHBondContact OG-OE2 2.8Å; E143-L146 PolarHBondContact O-N 3.35Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 3.41Å
144Q98.8Very high97.2Very high92 Ų9265.7 Ų65.743%0.4338%0.382SS..Hα-helixtrans-67.5-42.1175.2-68.9176.1-67.300111.6W140 S141 E142 L146 A147 A148W140-Q144 VanDerWaalsContact CA-OE1 3.29Å; W140-Q144 HydrophobicContact CB-CB 4.21Å; W140-Q144 HydrophobicContact CD2-CB 3.94Å; W140-Q144 HydrophobicContact CE3-CB 3.99Å; W140-Q144 HydrophobicContact CG-CB 4.06Å; S141-Q144 PolarHBondContact O-N 3.38Å; S141-Q144 PolarHBondContact OG-N 3.5Å; E142-Q144 VanDerWaalsContact C-N 3.27Å; E142-Q144 PolarHBondContact O-N 2.94Å; Q144-L146 VanDerWaalsContact C-N 3.34Å; Q144-L146 PolarHBondContact O-N 3.02Å; Q144-A147 PolarHBondContact O-N 2.93Å; Q144-A148 WeakPolarHBondContact O-CB 3.35Å; Q144-A148 PolarHBondContact O-N 2.96Å
145V98.4Very high97.4Very high0 Ų063.4 Ų63.40%036%0.358CS..Hα-helixtrans-61.3-44.4174.8178.30000110.8I96 M128 W140 S141 E142 A148 I157 V162I96-V145 HydrophobicContact CD1-CG2 3.9Å; I96-V145 HydrophobicContact CG1-CG2 4.28Å; M128-V145 HydrophobicContact SD-CG2 3.73Å; W140-V145 HydrophobicContact CB-CG2 4.36Å; W140-V145 HydrophobicContact CE3-CB 4.49Å; W140-V145 HydrophobicContact CE3-CG2 3.85Å; S141-V145 PolarHBondContact O-N 2.84Å; E142-V145 WeakPolarHBondContact O-CB 3.35Å; E142-V145 PolarHBondContact O-N 2.76Å; E142-V145 VanDerWaalsContact O-N 3.11Å; V145-A148 WeakPolarHBondContact O-CB 3.48Å; V145-A148 PolarHBondContact O-N 3.46Å; V145-I157 HydrophobicContact CG1-CG2 4.45Å; V145-V162 HydrophobicContact CG1-CG2 3.76Å
146L98.3Very high97.6Very high44 Ų4462.3 Ų62.323%0.2336%0.355CS..Hα-helixtrans-66.6-41.7179-65.3170.8000112.3E142 E143 Q144 A148 K149 Q159 V162E142-L146 HydrophobicContact CG-CD1 4.07Å; E142-L146 HydrophobicContact CG-CG 4.47Å; E142-L146 VanDerWaalsContact O-CG 3.31Å; E142-L146 WeakPolarHBondContact O-CG 3.49Å; E142-L146 PolarHBondContact O-N 2.87Å; E143-L146 PolarHBondContact O-N 3.35Å; Q144-L146 VanDerWaalsContact C-N 3.34Å; Q144-L146 PolarHBondContact O-N 3.02Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 2.85Å; L146-K149 PolarHBondContact O-N 3.5Å; L146-Q159 VanDerWaalsContact CD1-OE1 3.27Å; L146-Q159 HydrophobicContact CD2-CB 4.43Å; L146-Q159 VanDerWaalsContact CD2-N 3.34Å; L146-V162 HydrophobicContact CD2-CB 4.36Å; L146-V162 HydrophobicContact CD2-CG2 3.85Å
147A98.4Very high97.8Very high75 Ų7556.4 Ų56.462%0.6232%0.324SS*.Hα-helixtrans-68.4-25.7179.300000112.8E143 Q144 K149E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 3.41Å; Q144-A147 PolarHBondContact O-N 2.93Å; A147-K149 PolarHBondContact O-N 3.44Å
148A98.1Very high97.9Very high40 Ų4056.2 Ų56.233%0.33133%0.327SS..THydrogen-bonded Turntrans-67.1-21.2175.700000113.3W140 Q144 V145 L146 F150W140-A148 HydrophobicContact CH2-CB 4.02Å; W140-A148 HydrophobicContact CZ3-CB 3.74Å; Q144-A148 WeakPolarHBondContact O-CB 3.35Å; Q144-A148 PolarHBondContact O-N 2.96Å; V145-A148 WeakPolarHBondContact O-CB 3.48Å; V145-A148 PolarHBondContact O-N 3.46Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 2.85Å; A148-F150 VanDerWaalsContact C-N 3.26Å; A148-F150 HydrophobicContact CB-CD2 4.12Å; A148-F150 HydrophobicContact CB-CE1 4.16Å; A148-F150 HydrophobicContact CB-CE2 3.74Å; A148-F150 HydrophobicContact CB-CG 4.49Å; A148-F150 HydrophobicContact CB-CZ 3.75Å; A148-F150 PolarHBondContact O-N 3.01Å
149K96.9Very high97.9Very high161 Ų16158 Ų5870%0.733%0.332SS*.THydrogen-bonded Turntrans49.144.3175.8-62.8178.4179.5-179.30113.2L146 A147 S151L146-K149 PolarHBondContact O-N 3.5Å; A147-K149 PolarHBondContact O-N 3.44Å; K149-S151 PolarHBondContact O-N 3.36Å
150F98.2Very high97.9Very high42 Ų4254.7 Ų54.718%0.18432%0.318CS..  trans-54.2134.8177.4-65.2-57.7000110.5P95 I96 F130 W140 A148 L152 T156 I157P95-F150 HydrophobicContact CG-CD1 4.24Å; P95-F150 HydrophobicContact CG-CE1 3.71Å; P95-F150 HydrophobicContact CG-CE2 4.11Å; P95-F150 HydrophobicContact CG-CZ 3.64Å; I96-F150 HydrophobicContact CD1-CE2 4.4Å; I96-F150 HydrophobicContact CG1-CE2 4.49Å; F130-F150 HydrophobicContact CD2-CZ 4.29Å; F130-F150 AromaticContact CE2-CZ 3.94Å; F130-F150 HydrophobicContact CE2-CZ 3.94Å; W140-F150 HydrophobicContact CH2-CZ 4.05Å; W140-F150 AromaticContact CZ3-CE2 3.92Å; W140-F150 HydrophobicContact CZ3-CE2 3.92Å; W140-F150 AromaticContact CZ3-CZ 3.88Å; W140-F150 HydrophobicContact CZ3-CZ 3.88Å; A148-F150 VanDerWaalsContact C-N 3.26Å; A148-F150 HydrophobicContact CB-CD2 4.12Å; A148-F150 HydrophobicContact CB-CE1 4.16Å; A148-F150 HydrophobicContact CB-CE2 3.74Å; A148-F150 HydrophobicContact CB-CG 4.49Å; A148-F150 HydrophobicContact CB-CZ 3.75Å; A148-F150 PolarHBondContact O-N 3.01Å; F150-L152 HydrophobicContact CB-CD1 4.29Å; F150-T156 CarbonylContact O-C 3.48Å; F150-T156 WeakPolarHBondContact O-CA 3.16Å; F150-I157 HydrophobicContact CB-CB 4.18Å; F150-I157 HydrophobicContact CB-CG1 3.89Å; F150-I157 PolarHBondContact O-N 3.31Å
151S97.7Very high97.9Very high78 Ų7853 Ų5355%0.54531%0.311SS..EExtended strand (participates in β ladder)trans-125.8116.5172.4-170.30000108.2K149 L155K149-S151 PolarHBondContact O-N 3.36Å; S151-L155 WeakPolarHBondContact CA-O 3.48Å
152L97.9Very high97.9Very high22 Ų2250.9 Ų50.912%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-133.5125-170.4-65.5155.8000108.2E92 I94 F150 G154 L155 I157 V196E92-L152 HydrophobicContact CB-CB 4.03Å; E92-L152 HydrophobicContact CB-CD2 3.98Å; E92-L152 VanDerWaalsContact OE2-CA 3.25Å; E92-L152 WeakPolarHBondContact OE2-CA 3.49Å; I94-L152 HydrophobicContact CB-CD1 4.08Å; I94-L152 HydrophobicContact CG1-CD1 3.44Å; I94-L152 VanDerWaalsContact CG1-CD1 3.44Å; I94-L152 HydrophobicContact CG2-CD1 4.5Å; F150-L152 HydrophobicContact CB-CD1 4.29Å; L152-G154 PolarHBondContact O-N 3.1Å; L152-L155 PolarHBondContact N-O 3.36Å; L152-L155 WeakPolarHBondContact O-CB 3.42Å; L152-L155 PolarHBondContact O-N 3.23Å; L152-I157 HydrophobicContact CD1-CG1 4.24Å; L152-V196 HydrophobicContact CB-CB 4.25Å; L152-V196 HydrophobicContact CB-CG2 3.82Å
153A96.5Very high97.9Very high19 Ų1949.9 Ų49.916%0.15729%0.293CS..THydrogen-bonded Turntrans48.933.1-175.700000113.7E92 L155 V196 V198E92-A153 HydrophobicContact CB-CB 4.49Å; E92-A153 HydrophobicContact CG-CB 4.38Å; E92-A153 PolarHBondContact OE1-N 2.67Å; E92-A153 PolarHBondContact OE2-N 3Å; A153-L155 VanDerWaalsContact C-N 3.32Å; A153-L155 PolarHBondContact O-N 2.99Å; A153-V196 HydrophobicContact CB-CB 4.22Å; A153-V196 HydrophobicContact CB-CG1 3.88Å; A153-V198 HydrophobicContact CB-CG1 4.29Å
154G95.3Very high97.9Very high57 Ų5744.2 Ų44.259%0.58827%0.267SS*.THydrogen-bonded Turntrans77.57.2-177.600000115.5L152L152-G154 PolarHBondContact O-N 3.1Å
155L97.2Very high97.9Very high37 Ų3739.9 Ų39.919%0.19425%0.247CC..EExtended strand (participates in β ladder)trans-98.6124.6169.4-178.967.7000109.7S151 L152 A153 I157 E161 V196 I203S151-L155 WeakPolarHBondContact CA-O 3.48Å; L152-L155 PolarHBondContact N-O 3.36Å; L152-L155 WeakPolarHBondContact O-CB 3.42Å; L152-L155 PolarHBondContact O-N 3.23Å; A153-L155 VanDerWaalsContact C-N 3.32Å; A153-L155 PolarHBondContact O-N 2.99Å; L155-I157 HydrophobicContact CD2-CD1 4.33Å; L155-E161 HydrophobicContact CD1-CG 4.33Å; L155-E161 HydrophobicContact CD2-CG 4.03Å; L155-E161 HydrophobicContact CG-CG 4.27Å; L155-V196 HydrophobicContact CB-CG1 3.92Å; L155-V196 HydrophobicContact CB-CG2 4.43Å; L155-V196 HydrophobicContact CD2-CG1 4.03Å; L155-V196 HydrophobicContact CD2-CG2 3.97Å; L155-I203 HydrophobicContact CD2-CD1 4.02Å; L155-I203 HydrophobicContact CD2-CG1 3.73Å
156T97.5Very high97.9Very high81 Ų8141.2 Ų41.250%0.49725%0.254SS..EExtended strand (participates in β ladder)trans-84.2129.7169.8-60.90000109.7F150 G158F150-T156 CarbonylContact O-C 3.48Å; F150-T156 WeakPolarHBondContact O-CA 3.16Å; T156-G158 PolarHBondContact O-N 3.06Å
157I98.3Very high97.9Very high2 Ų243.7 Ų43.71%0.0126%0.261CS..  trans-80.496.7177.3-53.8-55.7000109.1I94 V145 F150 L152 L155 E161 V162 M165 V196 I203I94-I157 HydrophobicContact CD1-CD1 3.85Å; I94-I157 HydrophobicContact CG1-CD1 4.29Å; V145-I157 HydrophobicContact CG1-CG2 4.45Å; F150-I157 HydrophobicContact CB-CB 4.18Å; F150-I157 HydrophobicContact CB-CG1 3.89Å; F150-I157 PolarHBondContact O-N 3.31Å; L152-I157 HydrophobicContact CD1-CG1 4.24Å; L155-I157 HydrophobicContact CD2-CD1 4.33Å; I157-E161 HydrophobicContact CD1-CB 4.23Å; I157-E161 HydrophobicContact CD1-CG 4.33Å; I157-E161 HydrophobicContact CG2-CB 4.12Å; I157-V162 HydrophobicContact CG2-CG2 3.87Å; I157-M165 HydrophobicContact CG2-CE 3.79Å; I157-V196 HydrophobicContact CD1-CG2 4.33Å; I157-I203 HydrophobicContact CD1-CD1 4.41Å
158G97.4Very high97.9Very high21 Ų2140.7 Ų40.722%0.21624%0.235CC..  trans-107.7-164.7174.100000112.8T156 C160 E161 V162T156-G158 PolarHBondContact O-N 3.06Å; G158-C160 VanDerWaalsContact C-N 3.29Å; G158-C160 PolarHBondContact O-N 2.89Å; G158-E161 WeakPolarHBondContact CA-OE2 3.33Å; G158-E161 PolarHBondContact N-OE2 3.11Å; G158-E161 PolarHBondContact O-N 3.11Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.33Å
159Q98.1Very high98Very high86 Ų8638.8 Ų38.840%0.40222%0.219SC..Hα-helixtrans-57.6-41.3-178.5-173.766.556.400112.3E142 L146 E161 V162 D163E142-Q159 PolarHBondContact OE1-NE2 3.34Å; L146-Q159 VanDerWaalsContact CD1-OE1 3.27Å; L146-Q159 HydrophobicContact CD2-CB 4.43Å; L146-Q159 VanDerWaalsContact CD2-N 3.34Å; Q159-E161 PolarHBondContact O-N 2.72Å; Q159-V162 PolarHBondContact O-N 3.17Å; Q159-D163 PolarHBondContact NE2-OD1 2.87Å; Q159-D163 WeakPolarHBondContact O-CB 3.22Å; Q159-D163 PolarHBondContact O-N 3.21Å
160C98Very high98Very high13 Ų1332.6 Ų32.69%0.08820%0.195CC..Hα-helixtrans-59.8-49.1179.4-172.40000111.1G158 D163 I164 Q418G158-C160 VanDerWaalsContact C-N 3.29Å; G158-C160 PolarHBondContact O-N 2.89Å; C160-D163 PolarHBondContact O-N 2.79Å; C160-I164 WeakPolarHBondContact O-CD1 3.46Å; C160-I164 VanDerWaalsContact O-CG1 3.23Å; C160-I164 WeakPolarHBondContact O-CG1 3.36Å; C160-I164 PolarHBondContact O-N 3.18Å; C160-Q418 PolarHBondContact SG-OE1 3.14Å; C160-Q418 VanDerWaalsContact SG-OE1 3.38Å
161E98.5Very high98.1Very high9 Ų930.6 Ų30.64%0.04219%0.186CC..Hα-helixtrans-65.3-42.5-178.3-7066.9-130.700111.6L155 I157 G158 Q159 I164 M165 I203 Q418L155-E161 HydrophobicContact CD1-CG 4.33Å; L155-E161 HydrophobicContact CD2-CG 4.03Å; L155-E161 HydrophobicContact CG-CG 4.27Å; I157-E161 HydrophobicContact CD1-CB 4.23Å; I157-E161 HydrophobicContact CD1-CG 4.33Å; I157-E161 HydrophobicContact CG2-CB 4.12Å; G158-E161 WeakPolarHBondContact CA-OE2 3.33Å; G158-E161 PolarHBondContact N-OE2 3.11Å; G158-E161 PolarHBondContact O-N 3.11Å; Q159-E161 PolarHBondContact O-N 2.72Å; E161-I164 PolarHBondContact O-N 3.07Å; E161-M165 HydrophobicContact CB-CE 4.45Å; E161-M165 WeakPolarHBondContact O-CE 3.17Å; E161-M165 WeakPolarHBondContact O-CG 3.32Å; E161-M165 PolarHBondContact O-N 3.21Å; E161-I203 HydrophobicContact CB-CD1 3.51Å; E161-I203 HydrophobicContact CG-CD1 3.58Å; E161-Q418 PolarHBondContact OE1-NE2 3.08Å; E161-Q418 PolarHBondContact OE1-OE1 3.12Å
162V98.6Very high98.1Very high0 Ų026.9 Ų26.90%016%0.16CC..Hα-helixtrans-63.7-46.2176.4171.70000111.6W98 E142 V145 L146 I157 G158 Q159 I164 M165 N166W98-V162 HydrophobicContact CH2-CG1 4.1Å; E142-V162 HydrophobicContact CG-CG1 3.68Å; V145-V162 HydrophobicContact CG1-CG2 3.76Å; L146-V162 HydrophobicContact CD2-CB 4.36Å; L146-V162 HydrophobicContact CD2-CG2 3.85Å; I157-V162 HydrophobicContact CG2-CG2 3.87Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.33Å; Q159-V162 PolarHBondContact O-N 3.17Å; V162-I164 VanDerWaalsContact C-N 3.26Å; V162-I164 PolarHBondContact O-N 3.33Å; V162-M165 HydrophobicContact CG2-CE 4.31Å; V162-M165 PolarHBondContact O-N 3.38Å; V162-N166 WeakPolarHBondContact O-CB 3.33Å; V162-N166 PolarHBondContact O-N 2.87Å
163D98.7Very high98.2Very high36 Ų3625.8 Ų25.819%0.19315%0.154CC..Hα-helixtrans-58.6-40.9175.3-67.9-17.8000111.3Q159 C160 N166 R167 W410 K414Q159-D163 PolarHBondContact NE2-OD1 2.87Å; Q159-D163 WeakPolarHBondContact O-CB 3.22Å; Q159-D163 PolarHBondContact O-N 3.21Å; C160-D163 PolarHBondContact O-N 2.79Å; D163-N166 PolarHBondContact O-N 3.01Å; D163-R167 WeakPolarHBondContact O-CB 3.3Å; D163-R167 PolarHBondContact O-N 3.23Å; D163-W410 HydrophobicContact CB-CH2 3.69Å; D163-W410 HydrophobicContact CB-CZ2 4.14Å; D163-W410 WeakPolarHBondContact O-CH2 3.2Å; D163-K414 IonicContact OD2-NZ 2.75Å; D163-K414 PolarHBondContact OD2-NZ 3.3Å
164I98.7Very high98.3Very high14 Ų1427 Ų277%0.07216%0.156CC..Hα-helixtrans-63.1-48178.5-70.8165.8000110.9C160 E161 V162 R167 S168 W410 V411 L415C160-I164 WeakPolarHBondContact O-CD1 3.46Å; C160-I164 VanDerWaalsContact O-CG1 3.23Å; C160-I164 WeakPolarHBondContact O-CG1 3.36Å; C160-I164 PolarHBondContact O-N 3.18Å; E161-I164 PolarHBondContact O-N 3.07Å; V162-I164 VanDerWaalsContact C-N 3.26Å; V162-I164 PolarHBondContact O-N 3.33Å; I164-R167 PolarHBondContact O-N 3.32Å; I164-S168 WeakPolarHBondContact O-CB 3.46Å; I164-S168 PolarHBondContact O-N 2.8Å; I164-S168 PolarHBondContact O-OG 3.5Å; I164-W410 HydrophobicContact CB-CZ3 4.48Å; I164-W410 HydrophobicContact CG1-CH2 4.31Å; I164-W410 HydrophobicContact CG1-CZ3 3.91Å; I164-V411 HydrophobicContact CD1-CG1 4.1Å; I164-V411 HydrophobicContact CG1-CG1 4.31Å; I164-V411 HydrophobicContact CG1-CG2 4.29Å; I164-V411 HydrophobicContact CG2-CG1 4.47Å; I164-V411 HydrophobicContact CG2-CG2 4.16Å; I164-L415 HydrophobicContact CD1-CD2 4Å; I164-L415 HydrophobicContact CD1-CG 4.35Å
165M98.8Very high98.5Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-64.6-42.2178-71.3-177.2-78.700112.1I94 W98 I157 E161 V162 S168 T169 F194 I203I94-M165 HydrophobicContact CD1-CE 4.01Å; I94-M165 HydrophobicContact CD1-SD 3.37Å; I94-M165 WeakPolarHBondContact CD1-SD 3.49Å; I94-M165 HydrophobicContact CG2-SD 4.39Å; W98-M165 HydrophobicContact CD2-CB 4.28Å; W98-M165 HydrophobicContact CH2-CB 3.97Å; W98-M165 HydrophobicContact CZ2-CB 3.44Å; W98-M165 VanDerWaalsContact CZ2-CB 3.44Å; W98-M165 HydrophobicContact CZ2-CE 3.78Å; W98-M165 HydrophobicContact CZ2-CG 4.21Å; W98-M165 HydrophobicContact CZ2-SD 3.75Å; I157-M165 HydrophobicContact CG2-CE 3.79Å; E161-M165 HydrophobicContact CB-CE 4.45Å; E161-M165 WeakPolarHBondContact O-CE 3.17Å; E161-M165 WeakPolarHBondContact O-CG 3.32Å; E161-M165 PolarHBondContact O-N 3.21Å; V162-M165 HydrophobicContact CG2-CE 4.31Å; V162-M165 PolarHBondContact O-N 3.38Å; M165-S168 PolarHBondContact O-N 3.35Å; M165-T169 WeakPolarHBondContact O-CB 3.42Å; M165-T169 PolarHBondContact O-N 3.01Å; M165-T169 PolarHBondContact O-OG1 3.15Å; M165-F194 HydrophobicContact CB-CD2 3.98Å; M165-F194 HydrophobicContact CB-CE2 3.95Å; M165-F194 HydrophobicContact CG-CB 4.27Å; M165-F194 HydrophobicContact CG-CD1 4.38Å; M165-F194 HydrophobicContact CG-CD2 3.77Å; M165-F194 HydrophobicContact CG-CE2 4.18Å; M165-F194 HydrophobicContact CG-CG 3.89Å; M165-F194 HydrophobicContact SD-CB 3.96Å; M165-F194 HydrophobicContact SD-CD2 4.03Å; M165-F194 HydrophobicContact SD-CG 4.15Å; M165-I203 HydrophobicContact CG-CD1 4.43Å; M165-I203 HydrophobicContact CG-CG2 3.83Å; M165-I203 HydrophobicContact SD-CG2 4.42Å
166N98.6Very high98.6Very high29 Ų2922.5 Ų22.516%0.15512%0.119CC..Hα-helixtrans-54.5-56.5174.6-95.7-39.3000111.3W98 E142 V162 D163 S168 T169 V170W98-N166 HydrophobicContact CZ3-CB 4.38Å; W98-N166 WeakPolarHBondContact CZ3-OD1 3.35Å; E142-N166 PolarHBondContact OE2-ND2 3.06Å; V162-N166 WeakPolarHBondContact O-CB 3.33Å; V162-N166 PolarHBondContact O-N 2.87Å; D163-N166 PolarHBondContact O-N 3.01Å; N166-S168 VanDerWaalsContact C-N 3.35Å; N166-S168 PolarHBondContact O-N 2.93Å; N166-T169 PolarHBondContact O-N 3.4Å; N166-V170 PolarHBondContact O-N 3.22Å
167R98.6Very high98.6Very high96 Ų9620.4 Ų20.436%0.36210%0.104SC..Hα-helixtrans-71.4-31-176.1-164.4169.1174.7151.4-2.7112.7D163 I164 A171 L407 W410D163-R167 WeakPolarHBondContact O-CB 3.3Å; D163-R167 PolarHBondContact O-N 3.23Å; I164-R167 PolarHBondContact O-N 3.32Å; R167-A171 WeakPolarHBondContact O-CB 3.49Å; R167-A171 PolarHBondContact O-N 3.39Å; R167-A171 VanDerWaalsContact O-N 3.07Å; R167-L407 HydrophobicContact CB-CD1 4.11Å; R167-L407 HydrophobicContact CG-CD1 3.89Å; R167-W410 HydrophobicContact CB-CE3 4.39Å; R167-W410 HydrophobicContact CB-CH2 4.17Å; R167-W410 HydrophobicContact CB-CZ3 3.97Å; R167-W410 VanDerWaalsContact CD-CD2 3.42Å; R167-W410 VanDerWaalsContact CD-CE3 3.48Å; R167-W410 HydrophobicContact CG-CE3 4.4Å; R167-W410 HydrophobicContact CG-CZ3 4.45Å; R167-W410 VanDerWaalsContact CZ-CG 3.42Å; R167-W410 VanDerWaalsContact NH1-CG 3.3Å
168S98.8Very high98.6Very high12 Ų1223.7 Ų23.78%0.08412%0.118CC..Hα-helixtrans-65.8-42.4173.1-61.30000111.1I164 M165 N166 V170 A171 I172I164-S168 WeakPolarHBondContact O-CB 3.46Å; I164-S168 PolarHBondContact O-N 2.8Å; I164-S168 PolarHBondContact O-OG 3.5Å; M165-S168 PolarHBondContact O-N 3.35Å; N166-S168 VanDerWaalsContact C-N 3.35Å; N166-S168 PolarHBondContact O-N 2.93Å; S168-V170 VanDerWaalsContact C-N 3.34Å; S168-V170 PolarHBondContact O-N 3.24Å; S168-A171 PolarHBondContact O-N 3.4Å; S168-A171 VanDerWaalsContact O-N 3.17Å; S168-I172 WeakPolarHBondContact O-CB 3.35Å; S168-I172 WeakPolarHBondContact O-CD1 3.31Å; S168-I172 WeakPolarHBondContact O-CG1 3.4Å; S168-I172 PolarHBondContact O-N 3.3Å
169T98.9Very high98.7Very high0 Ų022.7 Ų22.70%011%0.108CC..Hα-helixtrans-60.2-44.8177.5-54.90000111.8W98 C100 M126 M165 N166 A171 I172 F173 M190 I192 F194W98-T169 HydrophobicContact CB-CG2 4.02Å; W98-T169 WeakPolarHBondContact CB-OG1 2.89Å; C100-T169 HydrophobicContact CB-CG2 3.89Å; M126-T169 VanDerWaalsContact CE-CB 3.49Å; M126-T169 HydrophobicContact CE-CG2 3.56Å; M126-T169 HydrophobicContact SD-CG2 3.58Å; M126-T169 VanDerWaalsContact SD-CG2 3.58Å; M165-T169 WeakPolarHBondContact O-CB 3.42Å; M165-T169 PolarHBondContact O-N 3.01Å; M165-T169 PolarHBondContact O-OG1 3.15Å; N166-T169 PolarHBondContact O-N 3.4Å; T169-A171 PolarHBondContact O-N 3.06Å; T169-I172 PolarHBondContact O-N 2.97Å; T169-F173 WeakPolarHBondContact O-CB 3.44Å; T169-F173 PolarHBondContact O-N 3.17Å; T169-M190 HydrophobicContact CG2-CE 4.1Å; T169-M190 WeakPolarHBondContact O-CE 3.49Å; T169-I192 HydrophobicContact CG2-CD1 3.73Å; T169-I192 HydrophobicContact CG2-CG1 3.94Å; T169-F194 WeakPolarHBondContact OG1-CE2 3.47Å
170V98.8Very high98.7Very high30 Ų3018.6 Ų18.618%0.1829%0.089CC..Hα-helixtrans-60-46.6174.8175.50000110.8L124 M126 N166 S168 I172 F173 E174L124-V170 HydrophobicContact CD1-CG1 4.06Å; M126-V170 HydrophobicContact CG-CG2 3.53Å; M126-V170 HydrophobicContact SD-CG2 3.71Å; N166-V170 PolarHBondContact O-N 3.22Å; S168-V170 VanDerWaalsContact C-N 3.34Å; S168-V170 PolarHBondContact O-N 3.24Å; V170-I172 PolarHBondContact O-N 3.24Å; V170-F173 PolarHBondContact O-N 3.37Å; V170-E174 HydrophobicContact CG1-CG 4.44Å; V170-E174 VanDerWaalsContact O-CG 3.3Å; V170-E174 WeakPolarHBondContact O-CG 3.36Å; V170-E174 PolarHBondContact O-N 2.87Å
171A98.9Very high98.7Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-62.6-44.3-179.800000113R167 S168 T169 F173 E174 I175 R403 L407R167-A171 WeakPolarHBondContact O-CB 3.49Å; R167-A171 PolarHBondContact O-N 3.39Å; R167-A171 VanDerWaalsContact O-N 3.07Å; S168-A171 PolarHBondContact O-N 3.4Å; S168-A171 VanDerWaalsContact O-N 3.17Å; T169-A171 PolarHBondContact O-N 3.06Å; A171-F173 VanDerWaalsContact C-N 3.31Å; A171-F173 PolarHBondContact O-N 3.42Å; A171-E174 PolarHBondContact O-N 3.5Å; A171-I175 WeakPolarHBondContact O-CB 3.41Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.39Å; A171-I175 PolarHBondContact O-N 2.98Å; A171-R403 VanDerWaalsContact CA-NH2 3.26Å; A171-R403 VanDerWaalsContact CB-CZ 3.46Å; A171-R403 VanDerWaalsContact CB-NH1 3.26Å; A171-L407 HydrophobicContact CB-CB 4.26Å; A171-L407 HydrophobicContact CB-CD2 3.84Å; A171-L407 HydrophobicContact CB-CG 4.44Å
172I98.9Very high98.6Very high0 Ų022.4 Ų22.40%012%0.119CC..Hα-helixtrans-61.6-43.5177-67.7161000109.5L68 I73 S168 T169 V170 E174 I175 L176 M190 I192 F194 L205 I209L68-I172 HydrophobicContact CD1-CG2 4.01Å; L68-I172 HydrophobicContact CD2-CB 4.45Å; L68-I172 HydrophobicContact CD2-CG1 4.37Å; L68-I172 HydrophobicContact CD2-CG2 4Å; I73-I172 HydrophobicContact CD1-CG1 4.48Å; I73-I172 HydrophobicContact CG1-CG1 4.45Å; I73-I172 HydrophobicContact CG2-CD1 4.1Å; I73-I172 HydrophobicContact CG2-CG1 3.94Å; S168-I172 WeakPolarHBondContact O-CB 3.35Å; S168-I172 WeakPolarHBondContact O-CD1 3.31Å; S168-I172 WeakPolarHBondContact O-CG1 3.4Å; S168-I172 PolarHBondContact O-N 3.3Å; T169-I172 PolarHBondContact O-N 2.97Å; V170-I172 PolarHBondContact O-N 3.24Å; I172-E174 PolarHBondContact O-N 2.92Å; I172-I175 PolarHBondContact O-N 2.89Å; I172-L176 HydrophobicContact CG2-CD1 4.11Å; I172-L176 WeakPolarHBondContact O-CG 3.5Å; I172-L176 PolarHBondContact O-N 3.11Å; I172-M190 HydrophobicContact CB-CE 3.94Å; I172-M190 HydrophobicContact CG2-CE 3.64Å; I172-M190 HydrophobicContact CG2-SD 4.28Å; I172-I192 HydrophobicContact CB-CD1 4.4Å; I172-I192 HydrophobicContact CD1-CD1 3.65Å; I172-I192 HydrophobicContact CG2-CD1 4.39Å; I172-F194 HydrophobicContact CD1-CE1 4.33Å; I172-F194 HydrophobicContact CD1-CZ 4.19Å; I172-L205 HydrophobicContact CD1-CB 4.28Å; I172-L205 HydrophobicContact CD1-CD1 4.12Å; I172-L205 HydrophobicContact CD1-CD2 3.91Å; I172-L205 HydrophobicContact CD1-CG 4.33Å; I172-L205 HydrophobicContact CG2-CD2 4.48Å; I172-I209 HydrophobicContact CG2-CD1 4.32Å
173F98.9Very high98.6Very high0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-60.1-49.4177.6-175.4-82.7000111C100 R102 L124 T169 V170 A171 I175 L176 E177 L187 M190C100-F173 HydrophobicContact CB-CB 4.07Å; C100-F173 HydrophobicContact CB-CD2 3.88Å; C100-F173 HydrophobicContact CB-CG 4.13Å; R102-F173 HydrophobicContact CB-CE1 3.89Å; R102-F173 HydrophobicContact CB-CZ 3.75Å; L124-F173 HydrophobicContact CD1-CB 4.19Å; L124-F173 HydrophobicContact CD1-CD1 3.35Å; L124-F173 HydrophobicContact CD1-CE1 4.05Å; L124-F173 HydrophobicContact CD1-CG 4.02Å; L124-F173 HydrophobicContact CD2-CD1 3.54Å; L124-F173 HydrophobicContact CD2-CE1 3.35Å; L124-F173 HydrophobicContact CD2-CG 4.38Å; L124-F173 HydrophobicContact CD2-CZ 4.08Å; L124-F173 HydrophobicContact CG-CD1 4.1Å; L124-F173 HydrophobicContact CG-CE1 4.36Å; T169-F173 WeakPolarHBondContact O-CB 3.44Å; T169-F173 PolarHBondContact O-N 3.17Å; V170-F173 PolarHBondContact O-N 3.37Å; A171-F173 VanDerWaalsContact C-N 3.31Å; A171-F173 PolarHBondContact O-N 3.42Å; F173-I175 VanDerWaalsContact C-N 3.32Å; F173-I175 PolarHBondContact O-N 2.96Å; F173-L176 PolarHBondContact O-N 3.1Å; F173-E177 HydrophobicContact CD1-CB 4.2Å; F173-E177 HydrophobicContact CE1-CB 3.96Å; F173-E177 HydrophobicContact CE1-CG 4.23Å; F173-E177 VanDerWaalsContact O-CB 3.27Å; F173-E177 WeakPolarHBondContact O-CB 3.41Å; F173-E177 PolarHBondContact O-N 2.94Å; F173-L187 HydrophobicContact CD2-CD2 4.04Å; F173-L187 HydrophobicContact CE1-CD2 4.49Å; F173-L187 HydrophobicContact CE2-CD2 3.83Å; F173-L187 HydrophobicContact CE2-CG 3.84Å; F173-L187 HydrophobicContact CG-CD2 4.46Å; F173-L187 HydrophobicContact CZ-CB 4.45Å; F173-L187 HydrophobicContact CZ-CD2 4.09Å; F173-L187 HydrophobicContact CZ-CG 3.98Å; F173-M190 HydrophobicContact CB-CE 3.65Å; F173-M190 HydrophobicContact CB-SD 3.99Å; F173-M190 HydrophobicContact CD2-CB 4.25Å; F173-M190 HydrophobicContact CD2-CE 4.35Å; F173-M190 HydrophobicContact CD2-CG 3.81Å; F173-M190 HydrophobicContact CD2-SD 3.83Å; F173-M190 HydrophobicContact CG-SD 4.35Å; F173-M190 VanDerWaalsContact N-CE 3.34Å
174E98.9Very high98.5Very high43 Ų4328.6 Ų28.620%0.20115%0.15CC..Hα-helixtrans-67.1-34.2-176.2-64169.2149.800112L124 V170 A171 I172 K178 W399 R403L124-E174 HydrophobicContact CD1-CG 3.39Å; V170-E174 HydrophobicContact CG1-CG 4.44Å; V170-E174 VanDerWaalsContact O-CG 3.3Å; V170-E174 WeakPolarHBondContact O-CG 3.36Å; V170-E174 PolarHBondContact O-N 2.87Å; A171-E174 PolarHBondContact O-N 3.5Å; I172-E174 PolarHBondContact O-N 2.92Å; E174-K178 VanDerWaalsContact O-CB 3.27Å; E174-K178 WeakPolarHBondContact O-CB 3.47Å; E174-K178 PolarHBondContact O-N 3.26Å; E174-W399 HydrophobicContact CB-CH2 3.81Å; E174-W399 HydrophobicContact CB-CZ3 4.48Å; E174-W399 WeakPolarHBondContact O-CZ3 3.37Å; E174-R403 IonicContact OE2-CZ 4Å; E174-R403 IonicContact OE2-NE 2.73Å; E174-R403 PolarHBondContact OE2-NE 3.46Å; E174-R403 IonicContact OE2-NH2 2.81Å; E174-R403 PolarHBondContact OE2-NH2 2.92Å
175I98.9Very high98.5Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-60.2-51.1171.2-75.1168.7000110.9L68 I73 A171 I172 F173 K178 A179 W399 C400 R403 A404L68-I175 HydrophobicContact CD2-CB 4.18Å; L68-I175 HydrophobicContact CD2-CD1 4.41Å; L68-I175 HydrophobicContact CD2-CG2 3.62Å; I73-I175 HydrophobicContact CD1-CD1 3.85Å; I73-I175 HydrophobicContact CG1-CD1 3.78Å; A171-I175 WeakPolarHBondContact O-CB 3.41Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.39Å; A171-I175 PolarHBondContact O-N 2.98Å; I172-I175 PolarHBondContact O-N 2.89Å; F173-I175 VanDerWaalsContact C-N 3.32Å; F173-I175 PolarHBondContact O-N 2.96Å; I175-K178 PolarHBondContact O-N 2.98Å; I175-A179 WeakPolarHBondContact O-CB 3.42Å; I175-A179 PolarHBondContact O-N 2.77Å; I175-W399 HydrophobicContact CG1-CZ3 4.18Å; I175-C400 HydrophobicContact CG1-CB 4.08Å; I175-C400 HydrophobicContact CG2-CB 4.09Å; I175-R403 HydrophobicContact CG1-CB 4.28Å; I175-R403 HydrophobicContact CG1-CG 4.18Å; I175-A404 HydrophobicContact CD1-CB 4.29Å
176L98.9Very high98.5Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-69.1-35.9-179.6-63.3178000112.1V64 L67 L68 I172 F173 A179 W180 L187 M190 I209 W214V64-L176 HydrophobicContact CG1-CD1 4.21Å; V64-L176 HydrophobicContact CG1-CD2 3.91Å; L67-L176 HydrophobicContact CD2-CD2 4.13Å; L68-L176 HydrophobicContact CD2-CD2 4.38Å; L68-L176 HydrophobicContact CD2-CG 4.45Å; L68-L176 HydrophobicContact CG-CD2 4.44Å; I172-L176 HydrophobicContact CG2-CD1 4.11Å; I172-L176 WeakPolarHBondContact O-CG 3.5Å; I172-L176 PolarHBondContact O-N 3.11Å; F173-L176 PolarHBondContact O-N 3.1Å; L176-A179 PolarHBondContact O-N 2.95Å; L176-W180 WeakPolarHBondContact O-CB 3.32Å; L176-W180 VanDerWaalsContact O-CD1 3.24Å; L176-W180 PolarHBondContact O-N 3.34Å; L176-L187 HydrophobicContact CB-CD2 3.66Å; L176-M190 HydrophobicContact CD1-SD 4.01Å; L176-I209 HydrophobicContact CD1-CD1 4.32Å; L176-I209 HydrophobicContact CD1-CG2 4.4Å; L176-W214 HydrophobicContact CD1-CZ3 4.48Å
177E98.8Very high98.5Very high37 Ų3728.5 Ų28.517%0.17315%0.151CC..Hα-helixtrans-61.8-48.1174.3-177.9-179.7-14000110.7R102 F173 A179 W180 A181 L187R102-E177 WeakPolarHBondContact CG-OE1 3.49Å; R102-E177 IonicContact CZ-OE1 3.25Å; R102-E177 IonicContact CZ-OE2 2.8Å; R102-E177 IonicContact NE-OE1 3.03Å; R102-E177 PolarHBondContact NE-OE1 2.89Å; R102-E177 IonicContact NE-OE2 3.19Å; R102-E177 PolarHBondContact NE-OE2 2.72Å; R102-E177 IonicContact NH2-OE1 3.61Å; R102-E177 IonicContact NH2-OE2 3.97Å; R102-E177 PolarHBondContact NH2-OE2 2.7Å; F173-E177 HydrophobicContact CD1-CB 4.2Å; F173-E177 HydrophobicContact CE1-CB 3.96Å; F173-E177 HydrophobicContact CE1-CG 4.23Å; F173-E177 VanDerWaalsContact O-CB 3.27Å; F173-E177 WeakPolarHBondContact O-CB 3.41Å; F173-E177 PolarHBondContact O-N 2.94Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 3.49Å; E177-W180 PolarHBondContact O-N 2.91Å; E177-A181 WeakPolarHBondContact O-CB 3.49Å; E177-A181 PolarHBondContact O-N 2.67Å; E177-L187 HydrophobicContact CB-CB 4.26Å; E177-L187 HydrophobicContact CB-CD2 4.2Å
178K98.4Very high98.5Very high72 Ų7224 Ų2431%0.31313%0.134SC..Hα-helixtrans-63.6-40.4178-170.274.9172.3-179.60111.7E174 I175 H396 W399E174-K178 VanDerWaalsContact O-CB 3.27Å; E174-K178 WeakPolarHBondContact O-CB 3.47Å; E174-K178 PolarHBondContact O-N 3.26Å; I175-K178 PolarHBondContact O-N 2.98Å; K178-H396 HydrophobicContact CG-CB 4.14Å; K178-W399 HydrophobicContact CB-CD2 4.36Å; K178-W399 HydrophobicContact CB-CE3 3.73Å; K178-W399 HydrophobicContact CB-CH2 4.44Å; K178-W399 HydrophobicContact CB-CZ3 3.79Å; K178-W399 HydrophobicContact CD-CD2 4.11Å; K178-W399 HydrophobicContact CD-CE3 4.35Å; K178-W399 HydrophobicContact CD-CG 4.38Å; K178-W399 HydrophobicContact CG-CD2 3.81Å; K178-W399 HydrophobicContact CG-CE3 3.6Å; K178-W399 HydrophobicContact CG-CG 4.22Å; K178-W399 HydrophobicContact CG-CZ3 4.16Å
179A98.4Very high98.5Very high0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-65.6-50.917700000111.5L67 I175 L176 E177 A181 T182 L259L67-A179 HydrophobicContact CD2-CB 3.79Å; I175-A179 WeakPolarHBondContact O-CB 3.42Å; I175-A179 PolarHBondContact O-N 2.77Å; L176-A179 PolarHBondContact O-N 2.95Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 3.49Å; A179-A181 PolarHBondContact O-N 3.29Å; A179-T182 WeakPolarHBondContact O-CB 3.49Å; A179-T182 WeakPolarHBondContact O-CG2 3.47Å; A179-T182 PolarHBondContact O-N 2.99Å; A179-T182 PolarHBondContact O-OG1 2.84Å; A179-L259 HydrophobicContact CB-CB 4.34Å; A179-L259 HydrophobicContact CB-CD1 4.3Å; A179-L259 HydrophobicContact CB-CD2 4.28Å; A179-L259 WeakPolarHBondContact O-CD2 3.14Å
180W98.6Very high98.5Very high0 Ų023.8 Ų23.80%013%0.132CC..Hα-helixtrans-63.5-28.2179.7-83.9118.6000113.7L176 E177 T182 Q183 C185 W214 L216 V252 R255 V256 L259L176-W180 WeakPolarHBondContact O-CB 3.32Å; L176-W180 VanDerWaalsContact O-CD1 3.24Å; L176-W180 PolarHBondContact O-N 3.34Å; E177-W180 PolarHBondContact O-N 2.91Å; W180-T182 PolarHBondContact O-N 3.43Å; W180-Q183 HydrophobicContact CE3-CB 4.22Å; W180-Q183 HydrophobicContact CE3-CG 4.39Å; W180-Q183 HydrophobicContact CZ3-CB 4.48Å; W180-Q183 PolarHBondContact O-N 3.18Å; W180-C185 CarbonylContact C-O 3.54Å; W180-C185 HydrophobicContact CB-CB 4.1Å; W180-C185 HydrophobicContact CD2-CB 4.44Å; W180-C185 HydrophobicContact CE3-CB 3.89Å; W180-C185 WeakPolarHBondContact O-CB 3.37Å; W180-C185 PolarHBondContact O-N 2.76Å; W180-C185 VanDerWaalsContact O-N 3.12Å; W180-W214 AromaticContact CE2-CH2 3.76Å; W180-W214 AromaticContact CE2-CZ2 3.95Å; W180-W214 AromaticContact CZ2-CH2 3.56Å; W180-W214 HydrophobicContact CZ2-CH2 3.56Å; W180-W214 AromaticContact CZ2-CZ2 3.54Å; W180-W214 HydrophobicContact CZ2-CZ2 3.54Å; W180-W214 HydrophobicContact CZ2-CZ3 4.48Å; W180-W214 AromaticContact NE1-CE3 3.94Å; W180-W214 AromaticContact NE1-CH2 3.36Å; W180-W214 AromaticContact NE1-CZ2 3.84Å; W180-W214 AromaticContact NE1-CZ3 3.41Å; W180-L216 HydrophobicContact CB-CD1 4.15Å; W180-L216 HydrophobicContact CD2-CD1 3.72Å; W180-L216 HydrophobicContact CD2-CD2 3.94Å; W180-L216 HydrophobicContact CD2-CG 4.48Å; W180-L216 HydrophobicContact CE3-CD1 4.24Å; W180-L216 HydrophobicContact CE3-CD2 3.9Å; W180-L216 HydrophobicContact CG-CD1 3.66Å; W180-L216 HydrophobicContact CH2-CD2 3.83Å; W180-L216 HydrophobicContact CZ2-CD2 3.84Å; W180-L216 HydrophobicContact CZ3-CD2 3.85Å; W180-V252 HydrophobicContact CH2-CG1 3.99Å; W180-V252 HydrophobicContact CZ2-CG1 4.08Å; W180-R255 HydrophobicContact CH2-CB 4.24Å; W180-R255 HydrophobicContact CZ3-CB 3.96Å; W180-V256 HydrophobicContact CH2-CB 4.25Å; W180-V256 HydrophobicContact CZ2-CB 4.28Å; W180-V256 HydrophobicContact CZ2-CG2 4.28Å; W180-L259 HydrophobicContact CD2-CD1 3.98Å; W180-L259 HydrophobicContact CD2-CD2 4.41Å; W180-L259 HydrophobicContact CE3-CD1 4.4Å; W180-L259 HydrophobicContact CE3-CD2 4.22Å; W180-L259 HydrophobicContact CG-CD1 4.4Å; W180-L259 HydrophobicContact CH2-CD1 4.38Å; W180-L259 HydrophobicContact CZ2-CD1 3.97Å
181A97.8Very high98.5Very high63 Ų6324.7 Ų24.752%0.52113%0.134SC..Hα-helixtrans-58.7-29.1173.800000112.7E177 A179 Q183 N184E177-A181 WeakPolarHBondContact O-CB 3.49Å; E177-A181 PolarHBondContact O-N 2.67Å; A179-A181 PolarHBondContact O-N 3.29Å; A181-Q183 PolarHBondContact O-N 2.78Å; A181-N184 PolarHBondContact O-N 2.91Å; A181-N184 VanDerWaalsContact O-N 3.12Å
182T97Very high98.5Very high39 Ų3924.8 Ų24.824%0.23913%0.134CC..THydrogen-bonded Turntrans-64.5-22.6175.269.70000113.3A179 W180 H396A179-T182 WeakPolarHBondContact O-CB 3.49Å; A179-T182 WeakPolarHBondContact O-CG2 3.47Å; A179-T182 PolarHBondContact O-N 2.99Å; A179-T182 PolarHBondContact O-OG1 2.84Å; W180-T182 PolarHBondContact O-N 3.43Å; T182-H396 HydrophobicContact CG2-CB 3.98Å
183Q97.6Very high98.5Very high52 Ų5225.3 Ų25.324%0.24314%0.137CC..THydrogen-bonded Turntrans-102.419.1178.9-53.4-54.2-54.700111.7W180 A181 C185 L259W180-Q183 HydrophobicContact CE3-CB 4.22Å; W180-Q183 HydrophobicContact CE3-CG 4.39Å; W180-Q183 HydrophobicContact CZ3-CB 4.48Å; W180-Q183 PolarHBondContact O-N 3.18Å; A181-Q183 PolarHBondContact O-N 2.78Å; Q183-C185 PolarHBondContact O-N 3.29Å; Q183-C185 PolarHBondContact O-SG 3.08Å; Q183-L259 HydrophobicContact CG-CD2 3.65Å
184N98Very high98.5Very high114 Ų11425.5 Ų25.561%0.6114%0.138SC*.THydrogen-bonded Turntrans51.140.6-173.9-16929.7000112.3A181 A219A181-N184 PolarHBondContact O-N 2.91Å; A181-N184 VanDerWaalsContact O-N 3.12Å; N184-A219 PolarHBondContact O-N 2.75Å
185C98.5Very high98.5Very high5 Ų523.4 Ų23.43%0.03413%0.128CC..EExtended strand (participates in β ladder)trans-115.6133.9178.5-68.30000110.5W180 Q183 L216 W251W180-C185 CarbonylContact C-O 3.54Å; W180-C185 HydrophobicContact CB-CB 4.1Å; W180-C185 HydrophobicContact CD2-CB 4.44Å; W180-C185 HydrophobicContact CE3-CB 3.89Å; W180-C185 WeakPolarHBondContact O-CB 3.37Å; W180-C185 PolarHBondContact O-N 2.76Å; W180-C185 VanDerWaalsContact O-N 3.12Å; Q183-C185 PolarHBondContact O-N 3.29Å; Q183-C185 PolarHBondContact O-SG 3.08Å; C185-L216 HydrophobicContact CB-CD1 3.92Å; C185-L216 HydrophobicContact CB-CD2 4.5Å; C185-L216 HydrophobicContact CB-CG 4.15Å; C185-W251 VanDerWaalsContact SG-CH2 3.57Å
186T98.7Very high98.5Very high35 Ų3523.4 Ų23.422%0.21513%0.128CC..EExtended strand (participates in β ladder)trans-90.8115.1170.6-61.90000109.1V188 W217 G220T186-V188 HydrophobicContact CG2-CG2 4.1Å; T186-V188 PolarHBondContact O-N 3.06Å; T186-W217 PolarHBondContact N-O 3.3Å; T186-W217 PolarHBondContact O-N 3.37Å; T186-G220 VanDerWaalsContact OG1-CA 3.29Å; T186-G220 WeakPolarHBondContact OG1-CA 3.38Å; T186-G220 PolarHBondContact OG1-N 3.25Å
187L98.8Very high98.5Very high1 Ų124.3 Ų24.31%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-76.1117164.6-17467.2000108.5F173 L176 E177 W214 L216F173-L187 HydrophobicContact CD2-CD2 4.04Å; F173-L187 HydrophobicContact CE1-CD2 4.49Å; F173-L187 HydrophobicContact CE2-CD2 3.83Å; F173-L187 HydrophobicContact CE2-CG 3.84Å; F173-L187 HydrophobicContact CG-CD2 4.46Å; F173-L187 HydrophobicContact CZ-CB 4.45Å; F173-L187 HydrophobicContact CZ-CD2 4.09Å; F173-L187 HydrophobicContact CZ-CG 3.98Å; L176-L187 HydrophobicContact CB-CD2 3.66Å; E177-L187 HydrophobicContact CB-CB 4.26Å; E177-L187 HydrophobicContact CB-CD2 4.2Å; L187-W214 HydrophobicContact CD1-CB 3.7Å; L187-W214 HydrophobicContact CD1-CD2 4.14Å; L187-W214 HydrophobicContact CD1-CE3 4.09Å; L187-W214 HydrophobicContact CD1-CG 4.01Å; L187-L216 HydrophobicContact CB-CD1 4.46Å; L187-L216 HydrophobicContact CD1-CD1 4.21Å
188V98.8Very high98.4Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-93-53-168.2160.80000111.6R102 V103 T105 T186 R215 W217R102-V188 PolarHBondContact N-O 3.14Å; V103-V188 HydrophobicContact CB-CG1 4.09Å; V103-V188 PolarHBondContact N-O 3.1Å; T105-V188 HydrophobicContact CG2-CG1 3.63Å; T186-V188 HydrophobicContact CG2-CG2 4.1Å; T186-V188 PolarHBondContact O-N 3.06Å; V188-R215 HydrophobicContact CB-CB 3.7Å; V188-R215 HydrophobicContact CG1-CB 3.88Å; V188-R215 PolarHBondContact N-O 3.33Å; V188-W217 HydrophobicContact CG1-CH2 4.23Å; V188-W217 HydrophobicContact CG1-CZ2 4.08Å; V188-W217 HydrophobicContact CG2-CB 4.36Å; V188-W217 HydrophobicContact CG2-CD2 3.37Å; V188-W217 HydrophobicContact CG2-CE3 3.52Å; V188-W217 HydrophobicContact CG2-CG 3.77Å; V188-W217 HydrophobicContact CG2-CH2 4.17Å; V188-W217 HydrophobicContact CG2-CZ2 4.05Å; V188-W217 HydrophobicContact CG2-CZ3 3.92Å
189D98.9Very high98.3Very high7 Ų727.9 Ų27.94%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-152.7162.6172.156.146.8000109.6C100 R101 W214 R215C100-D189 CarbonylContact O-C 3.6Å; C100-D189 WeakPolarHBondContact O-CA 3.08Å; C100-D189 WeakPolarHBondContact O-CB 2.76Å; R101-D189 HydrophobicContact CB-CB 4.07Å; R101-D189 HydrophobicContact CG-CB 3.82Å; R101-D189 IonicContact NH1-OD2 3.93Å; R101-D189 PolarHBondContact NH1-OD2 3.33Å; D189-W214 CarbonylContact O-C 3.53Å; D189-W214 VanDerWaalsContact O-CA 3.28Å; D189-W214 WeakPolarHBondContact O-CA 3.13Å; D189-W214 WeakPolarHBondContact O-CB 3.22Å; D189-R215 PolarHBondContact O-N 3.44Å; D189-R215 WeakPolarHBondContact OD1-CG 3.38Å; D189-R215 IonicContact OD1-CZ 2.77Å; D189-R215 IonicContact OD1-NH1 3.39Å; D189-R215 PolarHBondContact OD1-NH1 3.32Å; D189-R215 IonicContact OD2-CZ 2.9Å; D189-R215 IonicContact OD2-NH1 2.67Å; D189-R215 PolarHBondContact OD2-NH1 3.41Å
190M98.8Very high98.2Very high2 Ų231.6 Ų31.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-145.6160.3173.187.1-171.5-176.800111.1V99 C100 T169 I172 F173 L176 I192 S213 W214V99-M190 VanDerWaalsContact CA-O 3.29Å; V99-M190 WeakPolarHBondContact CA-O 3.22Å; C100-M190 PolarHBondContact N-O 3.4Å; C100-M190 PolarHBondContact O-N 3.34Å; T169-M190 HydrophobicContact CG2-CE 4.1Å; T169-M190 WeakPolarHBondContact O-CE 3.49Å; I172-M190 HydrophobicContact CB-CE 3.94Å; I172-M190 HydrophobicContact CG2-CE 3.64Å; I172-M190 HydrophobicContact CG2-SD 4.28Å; F173-M190 HydrophobicContact CB-CE 3.65Å; F173-M190 HydrophobicContact CB-SD 3.99Å; F173-M190 HydrophobicContact CD2-CB 4.25Å; F173-M190 HydrophobicContact CD2-CE 4.35Å; F173-M190 HydrophobicContact CD2-CG 3.81Å; F173-M190 HydrophobicContact CD2-SD 3.83Å; F173-M190 HydrophobicContact CG-SD 4.35Å; F173-M190 VanDerWaalsContact N-CE 3.34Å; L176-M190 HydrophobicContact CD1-SD 4.01Å; M190-I192 HydrophobicContact CE-CD1 4.02Å; M190-I192 HydrophobicContact CE-CG1 4.39Å; M190-I192 HydrophobicContact CE-CG2 3.83Å; M190-I192 HydrophobicContact CG-CG2 4.33Å; M190-I192 HydrophobicContact SD-CG2 4.21Å; M190-S213 CarbonylContact C-O 3.54Å; M190-S213 VanDerWaalsContact CA-O 3.27Å; M190-S213 WeakPolarHBondContact CA-O 3.44Å; M190-W214 HydrophobicContact CB-CB 4.07Å
191K98.7Very high98.1Very high48 Ų4839.1 Ų39.121%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-121.1133.3170.7-172.5-15575.31540109.4E97 W98 V99 E193 S213E97-K191 HydrophobicContact CB-CD 3.82Å; E97-K191 HydrophobicContact CB-CG 3.91Å; E97-K191 HydrophobicContact CG-CD 3.97Å; E97-K191 IonicContact OE1-NZ 2.94Å; E97-K191 PolarHBondContact OE1-NZ 3.47Å; E97-K191 WeakPolarHBondContact OE2-CD 3.11Å; E97-K191 IonicContact OE2-NZ 3.34Å; W98-K191 WeakPolarHBondContact O-CA 2.83Å; V99-K191 HydrophobicContact CG2-CB 4.17Å; V99-K191 HydrophobicContact CG2-CG 3.97Å; K191-E193 IonicContact NZ-OE1 2.71Å; K191-E193 PolarHBondContact NZ-OE1 3.1Å; K191-S213 PolarHBondContact N-O 3.2Å
192I98.8Very high98Very high2 Ų239.9 Ų39.91%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-133.1164.3172.363.6174.2000110.9W98 T169 I172 M190 F194 L205 I209W98-I192 HydrophobicContact CB-CG1 3.99Å; W98-I192 PolarHBondContact N-O 3.48Å; W98-I192 PolarHBondContact O-N 3.48Å; T169-I192 HydrophobicContact CG2-CD1 3.73Å; T169-I192 HydrophobicContact CG2-CG1 3.94Å; I172-I192 HydrophobicContact CB-CD1 4.4Å; I172-I192 HydrophobicContact CD1-CD1 3.65Å; I172-I192 HydrophobicContact CG2-CD1 4.39Å; M190-I192 HydrophobicContact CE-CD1 4.02Å; M190-I192 HydrophobicContact CE-CG1 4.39Å; M190-I192 HydrophobicContact CE-CG2 3.83Å; M190-I192 HydrophobicContact CG-CG2 4.33Å; M190-I192 HydrophobicContact SD-CG2 4.21Å; I192-F194 HydrophobicContact CD1-CE2 3.8Å; I192-F194 HydrophobicContact CD1-CZ 3.67Å; I192-F194 HydrophobicContact CG1-CE2 4.17Å; I192-L205 HydrophobicContact CB-CD1 3.86Å; I192-L205 HydrophobicContact CD1-CD1 3.98Å; I192-L205 HydrophobicContact CG1-CD1 4.39Å; I192-L205 HydrophobicContact CG2-CD1 4.23Å; I192-I209 HydrophobicContact CG2-CD1 3.63Å; I192-I209 HydrophobicContact CG2-CG1 4Å
193E98.8Very high98.1Very high11 Ų1139.2 Ų39.25%0.05119%0.19CC..  trans-130.7146.4177.3-61.9179.4-151.900109.2M93 K131 K191 S206 D207M93-E193 HydrophobicContact CE-CB 3.85Å; K131-E193 WeakPolarHBondContact CD-OE2 3.42Å; K131-E193 WeakPolarHBondContact CE-OE2 3.39Å; K131-E193 IonicContact NZ-OE1 2.78Å; K131-E193 PolarHBondContact NZ-OE1 3.24Å; K131-E193 IonicContact NZ-OE2 3.82Å; K131-E193 PolarHBondContact NZ-OE2 3.05Å; K191-E193 IonicContact NZ-OE1 2.71Å; K191-E193 PolarHBondContact NZ-OE1 3.1Å; E193-S206 PolarHBondContact O-N 3Å; E193-D207 HydrophobicContact CB-CB 3.94Å
194F98.9Very high98.1Very high4 Ų437 Ų372%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-111.7155.9176.9-66.9-88.2000110.3I94 W98 M165 T169 I172 I192 I203 V204 L205I94-F194 HydrophobicContact CD1-CB 4.08Å; I94-F194 PolarHBondContact N-O 3.17Å; W98-F194 HydrophobicContact CB-CE2 4.38Å; W98-F194 AromaticContact CD1-CD2 3.45Å; W98-F194 VanDerWaalsContact CD1-CD2 3.45Å; W98-F194 AromaticContact CD1-CE2 3.8Å; W98-F194 HydrophobicContact CD2-CE2 4.5Å; W98-F194 HydrophobicContact CG-CD2 4.08Å; W98-F194 AromaticContact CG-CE2 3.95Å; W98-F194 HydrophobicContact CG-CE2 3.95Å; W98-F194 AromaticContact NE1-CD2 3.62Å; M165-F194 HydrophobicContact CB-CD2 3.98Å; M165-F194 HydrophobicContact CB-CE2 3.95Å; M165-F194 HydrophobicContact CG-CB 4.27Å; M165-F194 HydrophobicContact CG-CD1 4.38Å; M165-F194 HydrophobicContact CG-CD2 3.77Å; M165-F194 HydrophobicContact CG-CE2 4.18Å; M165-F194 HydrophobicContact CG-CG 3.89Å; M165-F194 HydrophobicContact SD-CB 3.96Å; M165-F194 HydrophobicContact SD-CD2 4.03Å; M165-F194 HydrophobicContact SD-CG 4.15Å; T169-F194 WeakPolarHBondContact OG1-CE2 3.47Å; I172-F194 HydrophobicContact CD1-CE1 4.33Å; I172-F194 HydrophobicContact CD1-CZ 4.19Å; I192-F194 HydrophobicContact CD1-CE2 3.8Å; I192-F194 HydrophobicContact CD1-CZ 3.67Å; I192-F194 HydrophobicContact CG1-CE2 4.17Å; F194-I203 HydrophobicContact CB-CG2 4.03Å; F194-I203 HydrophobicContact CD1-CG2 3.86Å; F194-I203 HydrophobicContact CG-CG2 4.16Å; F194-V204 WeakPolarHBondContact CA-O 3.39Å; F194-L205 HydrophobicContact CE1-CB 4.33Å
195G98.6Very high98.2Very high0 Ų031.7 Ų31.70%015%0.152CC..EExtended strand (participates in β ladder)trans-135158.1171.900000110.6E92 I203 V204 S206E92-G195 CarbonylContact O-C 3.48Å; E92-G195 VanDerWaalsContact O-CA 3.32Å; E92-G195 WeakPolarHBondContact O-CA 3.42Å; G195-I203 WeakPolarHBondContact O-CA 3.18Å; G195-V204 PolarHBondContact N-O 2.93Å; G195-V204 PolarHBondContact O-N 3.06Å; G195-S206 PolarHBondContact N-OG 3.47Å
196V98.8Very high98.1Very high0 Ų031.6 Ų31.60%015%0.151CC..EExtended strand (participates in β ladder)trans-93.9117.8170.3-1730000108C91 E92 I94 L152 A153 L155 I157 V198 I203C91-V196 CarbonylContact C-O 3.54Å; C91-V196 WeakPolarHBondContact CA-O 3.35Å; E92-V196 PolarHBondContact N-O 3.01Å; E92-V196 PolarHBondContact O-N 2.9Å; I94-V196 HydrophobicContact CD1-CG2 4.28Å; I94-V196 HydrophobicContact CG1-CG2 4.37Å; L152-V196 HydrophobicContact CB-CB 4.25Å; L152-V196 HydrophobicContact CB-CG2 3.82Å; A153-V196 HydrophobicContact CB-CB 4.22Å; A153-V196 HydrophobicContact CB-CG1 3.88Å; L155-V196 HydrophobicContact CB-CG1 3.92Å; L155-V196 HydrophobicContact CB-CG2 4.43Å; L155-V196 HydrophobicContact CD2-CG1 4.03Å; L155-V196 HydrophobicContact CD2-CG2 3.97Å; I157-V196 HydrophobicContact CD1-CG2 4.33Å; V196-V198 PolarHBondContact O-N 3.37Å; V196-I203 HydrophobicContact CG2-CG1 4.45Å
197N98.1Very high98.1Very high19 Ų1931.5 Ų31.510%0.10215%0.149CC..EExtended strand (participates in β ladder)trans-63.1123.7177.8-180-50.7000110.1A89 K199 T200 R201 E202 V204A89-N197 WeakPolarHBondContact CB-ND2 3.39Å; N197-K199 PolarHBondContact O-N 2.99Å; N197-K199 VanDerWaalsContact O-N 3.14Å; N197-K199 WeakPolarHBondContact OD1-CB 3.49Å; N197-K199 PolarHBondContact OD1-N 2.86Å; N197-T200 VanDerWaalsContact CB-OG1 3.3Å; N197-T200 WeakPolarHBondContact CB-OG1 3.34Å; N197-T200 VanDerWaalsContact CG-OG1 3.25Å; N197-T200 PolarHBondContact OD1-N 2.98Å; N197-R201 VanDerWaalsContact O-CA 3.22Å; N197-R201 WeakPolarHBondContact O-CA 3.29Å; N197-R201 PolarHBondContact O-N 2.95Å; N197-E202 PolarHBondContact N-O 3.28Å; N197-V204 HydrophobicContact CB-CG2 4.43Å
198V97Very high98Very high46 Ų4632 Ų3228%0.27915%0.153SC..THydrogen-bonded Turntrans-66.7-19.6-172.4-57.90000114.1H90 E92 A153 V196H90-V198 HydrophobicContact CB-CG2 3.92Å; H90-V198 WeakPolarHBondContact O-CG2 3.21Å; H90-V198 PolarHBondContact O-N 2.74Å; H90-V198 VanDerWaalsContact O-N 3.08Å; E92-V198 HydrophobicContact CG-CG1 4.2Å; A153-V198 HydrophobicContact CB-CG1 4.29Å; V196-V198 PolarHBondContact O-N 3.37Å
199K95.9Very high98Very high138 Ų13832.1 Ų32.160%0.615%0.153SC*.THydrogen-bonded Turntrans-93.7-50.6177.6-73.9-175.3169.2178.70112.4P28 N197P28-K199 WeakPolarHBondContact O-CE 3.33Å; P28-K199 PolarHBondContact O-NZ 2.85Å; N197-K199 PolarHBondContact O-N 2.99Å; N197-K199 VanDerWaalsContact O-N 3.14Å; N197-K199 WeakPolarHBondContact OD1-CB 3.49Å; N197-K199 PolarHBondContact OD1-N 2.86Å
200T96.2Very high98Very high77 Ų7732.1 Ų32.147%0.47215%0.153SC..THydrogen-bonded Turntrans-89.3-16.4-172.566.40000113N197 E202N197-T200 VanDerWaalsContact CB-OG1 3.3Å; N197-T200 WeakPolarHBondContact CB-OG1 3.34Å; N197-T200 VanDerWaalsContact CG-OG1 3.25Å; N197-T200 PolarHBondContact OD1-N 2.98Å; T200-E202 PolarHBondContact O-N 3.35Å; T200-E202 PolarHBondContact OG1-N 3.38Å
201R96.6Very high98Very high158 Ų15832 Ų3260%0.59615%0.153SC*.  trans58.118.1-171.3-53.5-176.8-178.4176.1-0113.7N197N197-R201 VanDerWaalsContact O-CA 3.22Å; N197-R201 WeakPolarHBondContact O-CA 3.29Å; N197-R201 PolarHBondContact O-N 2.95Å
202E96.8Very high97.9Very high79 Ų7930.7 Ų30.737%0.36915%0.148SC..  trans-85143.3175.4-62.2-168.7148.500110.7K74 N197 T200 V204K74-E202 WeakPolarHBondContact CD-OE2 3.44Å; K74-E202 IonicContact NZ-OE1 2.75Å; K74-E202 PolarHBondContact NZ-OE1 3.24Å; K74-E202 IonicContact NZ-OE2 3.18Å; K74-E202 PolarHBondContact NZ-OE2 3.32Å; N197-E202 PolarHBondContact N-O 3.28Å; T200-E202 PolarHBondContact O-N 3.35Å; T200-E202 PolarHBondContact OG1-N 3.38Å; E202-V204 HydrophobicContact CB-CG1 4.37Å; E202-V204 PolarHBondContact O-N 3.49Å
203I98.6Very high97.9Very high25 Ų2531.1 Ų31.113%0.12815%0.151CC..EExtended strand (participates in β ladder)trans-72.2124.9166.6-65.4173.9000108.4L155 I157 E161 M165 F194 G195 V196L155-I203 HydrophobicContact CD2-CD1 4.02Å; L155-I203 HydrophobicContact CD2-CG1 3.73Å; I157-I203 HydrophobicContact CD1-CD1 4.41Å; E161-I203 HydrophobicContact CB-CD1 3.51Å; E161-I203 HydrophobicContact CG-CD1 3.58Å; M165-I203 HydrophobicContact CG-CD1 4.43Å; M165-I203 HydrophobicContact CG-CG2 3.83Å; M165-I203 HydrophobicContact SD-CG2 4.42Å; F194-I203 HydrophobicContact CB-CG2 4.03Å; F194-I203 HydrophobicContact CD1-CG2 3.86Å; F194-I203 HydrophobicContact CG-CG2 4.16Å; G195-I203 WeakPolarHBondContact O-CA 3.18Å; V196-I203 HydrophobicContact CG2-CG1 4.45Å
204V98.6Very high97.9Very high7 Ų730.8 Ų30.84%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-132.3144.8179.4-61.20000110.7K74 A76 F194 G195 N197 E202 S206K74-V204 HydrophobicContact CB-CG1 4.09Å; A76-V204 HydrophobicContact CB-CG2 3.99Å; F194-V204 WeakPolarHBondContact CA-O 3.39Å; G195-V204 PolarHBondContact N-O 2.93Å; G195-V204 PolarHBondContact O-N 3.06Å; N197-V204 HydrophobicContact CB-CG2 4.43Å; E202-V204 HydrophobicContact CB-CG1 4.37Å; E202-V204 PolarHBondContact O-N 3.49Å; V204-S206 PolarHBondContact O-N 3.47Å; V204-S206 PolarHBondContact O-OG 2.86Å
205L98.8Very high97.8Very high1 Ų132 Ų321%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-57.6123.6168.7172.965.3000108.5F65 L68 K74 T75 A76 I172 I192 F194 I209F65-L205 HydrophobicContact CD1-CD2 4Å; F65-L205 HydrophobicContact CE1-CD2 3.65Å; F65-L205 HydrophobicContact CE1-CG 3.82Å; L68-L205 HydrophobicContact CD1-CD2 3.6Å; K74-L205 PolarHBondContact O-N 3.04Å; T75-L205 CarbonylContact C-O 3.6Å; T75-L205 VanDerWaalsContact CA-O 3.32Å; T75-L205 WeakPolarHBondContact CA-O 3.48Å; T75-L205 HydrophobicContact CG2-CB 4.21Å; T75-L205 HydrophobicContact CG2-CD2 3.98Å; A76-L205 PolarHBondContact N-O 2.85Å; I172-L205 HydrophobicContact CD1-CB 4.28Å; I172-L205 HydrophobicContact CD1-CD1 4.12Å; I172-L205 HydrophobicContact CD1-CD2 3.91Å; I172-L205 HydrophobicContact CD1-CG 4.33Å; I172-L205 HydrophobicContact CG2-CD2 4.48Å; I192-L205 HydrophobicContact CB-CD1 3.86Å; I192-L205 HydrophobicContact CD1-CD1 3.98Å; I192-L205 HydrophobicContact CG1-CD1 4.39Å; I192-L205 HydrophobicContact CG2-CD1 4.23Å; F194-L205 HydrophobicContact CE1-CB 4.33Å; L205-I209 HydrophobicContact CD1-CD1 4.36Å; L205-I209 HydrophobicContact CD2-CD1 3.97Å
206S98.1Very high97.9Very high4 Ų432 Ų323%0.02815%0.154CC..  trans-127.5-159.1-172.7-62.70000110.2E193 G195 V204 V208E193-S206 PolarHBondContact O-N 3Å; G195-S206 PolarHBondContact N-OG 3.47Å; V204-S206 PolarHBondContact O-N 3.47Å; V204-S206 PolarHBondContact O-OG 2.86Å; S206-V208 PolarHBondContact O-N 2.94Å
207D97.1Very high97.8Very high33 Ų3332.7 Ų32.718%0.17616%0.156CC..SBendtrans56.8-133.6-178.4-162.154.5000112.7K19 F65 M93 E193K19-D207 WeakPolarHBondContact CE-OD1 3.12Å; K19-D207 IonicContact NZ-OD1 2.92Å; K19-D207 PolarHBondContact NZ-OD1 2.7Å; K19-D207 IonicContact NZ-OD2 2.7Å; F65-D207 WeakPolarHBondContact CE2-O 3.35Å; F65-D207 WeakPolarHBondContact CZ-O 3.27Å; M93-D207 HydrophobicContact CE-CB 3.99Å; E193-D207 HydrophobicContact CB-CB 3.94Å
208V97.9Very high97.9Very high12 Ų1232.3 Ų32.37%0.07316%0.155CC..  trans-136.2149.1178.2-60.70000110.2K19 T61 F86 S206 S213K19-V208 HydrophobicContact CD-CG1 4.24Å; T61-V208 HydrophobicContact CG2-CB 3.99Å; T61-V208 HydrophobicContact CG2-CG1 4.15Å; F86-V208 HydrophobicContact CE1-CG1 4.13Å; F86-V208 HydrophobicContact CZ-CG1 4.23Å; S206-V208 PolarHBondContact O-N 2.94Å; V208-S213 PolarHBondContact O-OG 3.37Å
209I98.6Very high97.9Very high1 Ų133 Ų331%0.00517%0.165CC..  trans-117.2103.2162-56.2-179.7000106.7T61 V64 F65 L68 I172 L176 I192 L205 W214T61-I209 VanDerWaalsContact CA-O 3.22Å; T61-I209 WeakPolarHBondContact CA-O 3.24Å; T61-I209 PolarHBondContact N-O 3.13Å; T61-I209 PolarHBondContact OG1-O 2.91Å; V64-I209 HydrophobicContact CB-CB 4.44Å; V64-I209 HydrophobicContact CG1-CB 3.75Å; V64-I209 HydrophobicContact CG1-CD1 3.94Å; V64-I209 HydrophobicContact CG1-CG1 4.37Å; V64-I209 HydrophobicContact CG1-CG2 3.87Å; F65-I209 HydrophobicContact CE1-CD1 4.19Å; F65-I209 HydrophobicContact CE1-CG1 4.07Å; L68-I209 HydrophobicContact CD1-CD1 4.05Å; I172-I209 HydrophobicContact CG2-CD1 4.32Å; L176-I209 HydrophobicContact CD1-CD1 4.32Å; L176-I209 HydrophobicContact CD1-CG2 4.4Å; I192-I209 HydrophobicContact CG2-CD1 3.63Å; I192-I209 HydrophobicContact CG2-CG1 4Å; L205-I209 HydrophobicContact CD1-CD1 4.36Å; L205-I209 HydrophobicContact CD2-CD1 3.97Å; I209-W214 HydrophobicContact CG2-CE3 4.02Å; I209-W214 HydrophobicContact CG2-CZ3 3.93Å
210D98.3Very high97.9Very high7 Ų728 Ų284%0.03715%0.153CC..SBendtrans-127.2-169.6177.573.84.5000110.4A57 D212 S213A57-D210 HydrophobicContact CB-CB 4.19Å; D210-D212 PolarHBondContact O-N 3.45Å; D210-D212 VanDerWaalsContact O-N 3.1Å; D210-D212 WeakPolarHBondContact OD1-CA 3.39Å; D210-D212 WeakPolarHBondContact OD1-CB 3.38Å; D210-D212 PolarHBondContact OD1-N 2.74Å; D210-S213 PolarHBondContact N-OG 2.84Å; D210-S213 WeakPolarHBondContact O-CB 3.41Å; D210-S213 PolarHBondContact O-N 3.44Å
211N97.9Very high98Very high1 Ų127.2 Ų27.21%0.00515%0.146CC..THydrogen-bonded Turntrans-72.50.8-178-154.738.1000114W214 K226 K228 F249 V252N211-W214 PolarHBondContact OD1-NE1 3.01Å; N211-K226 PolarHBondContact ND2-O 3.31Å; N211-K228 WeakPolarHBondContact O-CB 3.28Å; N211-K228 PolarHBondContact O-N 2.91Å; N211-K228 VanDerWaalsContact O-N 3.11Å; N211-F249 HydrophobicContact CB-CD1 3.84Å; N211-F249 HydrophobicContact CB-CE1 3.67Å; N211-F249 HydrophobicContact CB-CE2 4.43Å; N211-F249 HydrophobicContact CB-CG 4.28Å; N211-F249 HydrophobicContact CB-CZ 3.99Å; N211-F249 WeakPolarHBondContact ND2-CD2 3.45Å; N211-F249 WeakPolarHBondContact ND2-CE2 3.47Å; N211-V252 HydrophobicContact CB-CG1 4.44Å
212D97.1Very high98Very high20 Ų2024.1 Ų24.111%0.10713%0.134CC..THydrogen-bonded Turntrans-89.4-23.9169.1-54.4-0.4000111.6K53 D210 K228 F249K53-D212 VanDerWaalsContact NZ-CG 3.33Å; K53-D212 IonicContact NZ-OD1 2.58Å; K53-D212 PolarHBondContact NZ-OD1 2.96Å; K53-D212 IonicContact NZ-OD2 3.52Å; K53-D212 PolarHBondContact NZ-OD2 2.82Å; K53-D212 VanDerWaalsContact NZ-OD2 3.14Å; D210-D212 PolarHBondContact O-N 3.45Å; D210-D212 VanDerWaalsContact O-N 3.1Å; D210-D212 WeakPolarHBondContact OD1-CA 3.39Å; D210-D212 WeakPolarHBondContact OD1-CB 3.38Å; D210-D212 PolarHBondContact OD1-N 2.74Å; D212-K228 HydrophobicContact CB-CD 3.51Å; D212-K228 WeakPolarHBondContact OD1-CD 3.5Å; D212-K228 IonicContact OD1-NZ 2.74Å; D212-K228 IonicContact OD2-NZ 3.38Å; D212-K228 PolarHBondContact OD2-NZ 3.23Å; D212-F249 WeakPolarHBondContact OD1-CE1 3.31Å; D212-F249 VanDerWaalsContact OD1-CZ 3.26Å; D212-F249 WeakPolarHBondContact OD1-CZ 3.43Å
213S98.3Very high98Very high11 Ų1125.2 Ų25.28%0.07715%0.15CC..SBendtrans-83.5-16.2-170.3-560000114.3M190 K191 V208 D210M190-S213 CarbonylContact C-O 3.54Å; M190-S213 VanDerWaalsContact CA-O 3.27Å; M190-S213 WeakPolarHBondContact CA-O 3.44Å; K191-S213 PolarHBondContact N-O 3.2Å; V208-S213 PolarHBondContact O-OG 3.37Å; D210-S213 PolarHBondContact N-OG 2.84Å; D210-S213 WeakPolarHBondContact O-CB 3.41Å; D210-S213 PolarHBondContact O-N 3.44Å
214W98.7Very high97.9Very high4 Ų428 Ų282%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-133.3173.9-176.558.836.6000114.3T60 V64 L176 W180 L187 D189 M190 I209 N211 D227 V252T60-W214 HydrophobicContact CG2-CH2 4.13Å; T60-W214 HydrophobicContact CG2-CZ2 4.15Å; V64-W214 HydrophobicContact CG2-CH2 3.88Å; V64-W214 HydrophobicContact CG2-CZ3 3.96Å; L176-W214 HydrophobicContact CD1-CZ3 4.48Å; W180-W214 AromaticContact CE2-CH2 3.76Å; W180-W214 AromaticContact CE2-CZ2 3.95Å; W180-W214 AromaticContact CZ2-CH2 3.56Å; W180-W214 HydrophobicContact CZ2-CH2 3.56Å; W180-W214 AromaticContact CZ2-CZ2 3.54Å; W180-W214 HydrophobicContact CZ2-CZ2 3.54Å; W180-W214 HydrophobicContact CZ2-CZ3 4.48Å; W180-W214 AromaticContact NE1-CE3 3.94Å; W180-W214 AromaticContact NE1-CH2 3.36Å; W180-W214 AromaticContact NE1-CZ2 3.84Å; W180-W214 AromaticContact NE1-CZ3 3.41Å; L187-W214 HydrophobicContact CD1-CB 3.7Å; L187-W214 HydrophobicContact CD1-CD2 4.14Å; L187-W214 HydrophobicContact CD1-CE3 4.09Å; L187-W214 HydrophobicContact CD1-CG 4.01Å; D189-W214 CarbonylContact O-C 3.53Å; D189-W214 VanDerWaalsContact O-CA 3.28Å; D189-W214 WeakPolarHBondContact O-CA 3.13Å; D189-W214 WeakPolarHBondContact O-CB 3.22Å; M190-W214 HydrophobicContact CB-CB 4.07Å; I209-W214 HydrophobicContact CG2-CE3 4.02Å; I209-W214 HydrophobicContact CG2-CZ3 3.93Å; N211-W214 PolarHBondContact OD1-NE1 3.01Å; W214-D227 VanDerWaalsContact O-CB 3.31Å; W214-D227 WeakPolarHBondContact O-CB 3.31Å; W214-V252 HydrophobicContact CZ2-CG1 3.76Å
215R98.8Very high97.8Very high29 Ų2928.7 Ų28.711%0.10917%0.166CC..EExtended strand (participates in β ladder)trans-110.8130.2157.1-73.3179.9-175.689.27.6111.1V188 D189 D227V188-R215 HydrophobicContact CB-CB 3.7Å; V188-R215 HydrophobicContact CG1-CB 3.88Å; V188-R215 PolarHBondContact N-O 3.33Å; D189-R215 PolarHBondContact O-N 3.44Å; D189-R215 WeakPolarHBondContact OD1-CG 3.38Å; D189-R215 IonicContact OD1-CZ 2.77Å; D189-R215 IonicContact OD1-NH1 3.39Å; D189-R215 PolarHBondContact OD1-NH1 3.32Å; D189-R215 IonicContact OD2-CZ 2.9Å; D189-R215 IonicContact OD2-NH1 2.67Å; D189-R215 PolarHBondContact OD2-NH1 3.41Å; R215-D227 WeakPolarHBondContact CA-OD1 3.31Å
216L98.8Very high97.8Very high0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-133.6113.9-173.8-164.173.4000111.1W180 C185 L187 K226 D227 V252W180-L216 HydrophobicContact CB-CD1 4.15Å; W180-L216 HydrophobicContact CD2-CD1 3.72Å; W180-L216 HydrophobicContact CD2-CD2 3.94Å; W180-L216 HydrophobicContact CD2-CG 4.48Å; W180-L216 HydrophobicContact CE3-CD1 4.24Å; W180-L216 HydrophobicContact CE3-CD2 3.9Å; W180-L216 HydrophobicContact CG-CD1 3.66Å; W180-L216 HydrophobicContact CH2-CD2 3.83Å; W180-L216 HydrophobicContact CZ2-CD2 3.84Å; W180-L216 HydrophobicContact CZ3-CD2 3.85Å; C185-L216 HydrophobicContact CB-CD1 3.92Å; C185-L216 HydrophobicContact CB-CD2 4.5Å; C185-L216 HydrophobicContact CB-CG 4.15Å; L187-L216 HydrophobicContact CB-CD1 4.46Å; L187-L216 HydrophobicContact CD1-CD1 4.21Å; L216-K226 PolarHBondContact O-N 3.26Å; L216-K226 VanDerWaalsContact O-N 3.08Å; L216-D227 PolarHBondContact N-OD1 2.9Å; L216-V252 HydrophobicContact CD2-CG2 4.17Å
217W98.6Very high97.8Very high15 Ų1530 Ų306%0.05717%0.171CC..EExtended strand (participates in β ladder)trans-113.6108-176.3-62.7-8.5000110.8V103 T105 T186 V188 A219 G220 R222V103-W217 HydrophobicContact CG1-CH2 4.41Å; V103-W217 HydrophobicContact CG1-CZ3 4.24Å; T105-W217 HydrophobicContact CG2-CH2 4.44Å; T105-W217 HydrophobicContact CG2-CZ2 4.24Å; T186-W217 PolarHBondContact N-O 3.3Å; T186-W217 PolarHBondContact O-N 3.37Å; V188-W217 HydrophobicContact CG1-CH2 4.23Å; V188-W217 HydrophobicContact CG1-CZ2 4.08Å; V188-W217 HydrophobicContact CG2-CB 4.36Å; V188-W217 HydrophobicContact CG2-CD2 3.37Å; V188-W217 HydrophobicContact CG2-CE3 3.52Å; V188-W217 HydrophobicContact CG2-CG 3.77Å; V188-W217 HydrophobicContact CG2-CH2 4.17Å; V188-W217 HydrophobicContact CG2-CZ2 4.05Å; V188-W217 HydrophobicContact CG2-CZ3 3.92Å; W217-A219 PolarHBondContact O-N 3.31Å; W217-G220 PolarHBondContact O-N 3.36Å; W217-G220 VanDerWaalsContact O-N 3.11Å; W217-R222 HydrophobicContact CD2-CB 3.87Å; W217-R222 HydrophobicContact CD2-CG 4.43Å; W217-R222 HydrophobicContact CE3-CB 4.05Å; W217-R222 HydrophobicContact CH2-CB 4.04Å; W217-R222 HydrophobicContact CH2-CG 4.29Å; W217-R222 HydrophobicContact CZ2-CB 3.84Å; W217-R222 HydrophobicContact CZ2-CG 3.72Å; W217-R222 HydrophobicContact CZ3-CB 4.13Å
218P98.6Very high97.8Very high11 Ų1129 Ų297%0.07117%0.165CC..EExtended strand (participates in β ladder)trans-54.5134.1169.3-24.535.2000110.9G220 D221 Q224 K226 W251P218-G220 PolarHBondContact O-N 3.46Å; P218-D221 PolarHBondContact O-N 2.66Å; P218-Q224 HydrophobicContact CB-CB 4.21Å; P218-Q224 WeakPolarHBondContact CD-O 3.3Å; P218-Q224 HydrophobicContact CG-CB 4.16Å; P218-K226 HydrophobicContact CG-CG 3.69Å; P218-W251 HydrophobicContact CG-CH2 4.06Å; P218-W251 HydrophobicContact CG-CZ2 4.41Å
219A97.4Very high97.8Very high60 Ų6029.6 Ų29.650%0.49617%0.167SC..THydrogen-bonded Turntrans52.818.3-175.800000115.1N184 W217 D221N184-A219 PolarHBondContact O-N 2.75Å; W217-A219 PolarHBondContact O-N 3.31Å; A219-D221 PolarHBondContact O-N 3.42Å
220G97.1Very high97.7Very high33 Ų3330.2 Ų30.234%0.3417%0.171SC..THydrogen-bonded Turntrans72.611.1-173.700000114.5T186 W217 P218T186-G220 VanDerWaalsContact OG1-CA 3.29Å; T186-G220 WeakPolarHBondContact OG1-CA 3.38Å; T186-G220 PolarHBondContact OG1-N 3.25Å; W217-G220 PolarHBondContact O-N 3.36Å; W217-G220 VanDerWaalsContact O-N 3.11Å; P218-G220 PolarHBondContact O-N 3.46Å
221D97.4Very high97.6Very high60 Ų6029.9 Ų29.932%0.32117%0.169SC..  trans-94.8112.7-178.6-179.5-0.2000111.3P218 A219 S223 Q224P218-D221 PolarHBondContact O-N 2.66Å; A219-D221 PolarHBondContact O-N 3.42Å; D221-S223 PolarHBondContact O-N 2.81Å; D221-S223 WeakPolarHBondContact OD1-CB 3.41Å; D221-S223 PolarHBondContact OD1-N 3.04Å; D221-S223 PolarHBondContact OD1-OG 3.31Å; D221-S223 PolarHBondContact OD2-OG 2.66Å; D221-Q224 HydrophobicContact CB-CB 4.48Å; D221-Q224 HydrophobicContact CB-CG 4.3Å; D221-Q224 PolarHBondContact O-N 3.38Å; D221-Q224 VanDerWaalsContact O-N 3.07Å; D221-Q224 PolarHBondContact OD2-NE2 3.42Å
222R96.4Very high97.4Very high94 Ų9434.3 Ų34.336%0.35519%0.186SC..G310 helixtrans-59.4-31.9178178.6173173.1-153.1-6.4112.7E117 W217 Q224 Q225 D233E117-R222 WeakPolarHBondContact OE1-CD 3.4Å; E117-R222 IonicContact OE1-CZ 3.67Å; E117-R222 IonicContact OE1-NE 2.81Å; E117-R222 PolarHBondContact OE1-NE 2.98Å; E117-R222 IonicContact OE1-NH1 3.69Å; E117-R222 PolarHBondContact OE1-NH1 3.5Å; E117-R222 IonicContact OE2-CZ 3.47Å; E117-R222 IonicContact OE2-NH1 3.13Å; E117-R222 PolarHBondContact OE2-NH1 2.95Å; W217-R222 HydrophobicContact CD2-CB 3.87Å; W217-R222 HydrophobicContact CD2-CG 4.43Å; W217-R222 HydrophobicContact CE3-CB 4.05Å; W217-R222 HydrophobicContact CH2-CB 4.04Å; W217-R222 HydrophobicContact CH2-CG 4.29Å; W217-R222 HydrophobicContact CZ2-CB 3.84Å; W217-R222 HydrophobicContact CZ2-CG 3.72Å; W217-R222 HydrophobicContact CZ3-CB 4.13Å; R222-Q224 PolarHBondContact O-N 2.85Å; R222-Q224 VanDerWaalsContact O-N 3.14Å; R222-Q225 VanDerWaalsContact O-CB 3.3Å; R222-Q225 WeakPolarHBondContact O-CB 3.27Å; R222-Q225 VanDerWaalsContact O-CG 3.31Å; R222-Q225 WeakPolarHBondContact O-CG 3.38Å; R222-Q225 PolarHBondContact O-N 2.87Å; R222-D233 IonicContact NH2-OD2 3.84Å
223S96.2Very high97.3Very high101 Ų10136.9 Ų36.971%0.70620%0.199SC*.G310 helixtrans-63.7-21179.476.70000112.4D221D221-S223 PolarHBondContact O-N 2.81Å; D221-S223 WeakPolarHBondContact OD1-CB 3.41Å; D221-S223 PolarHBondContact OD1-N 3.04Å; D221-S223 PolarHBondContact OD1-OG 3.31Å; D221-S223 PolarHBondContact OD2-OG 2.66Å
224Q97.1Very high97.1Very high85 Ų8537.6 Ų37.640%0.39720%0.202SC..G310 helixtrans-97.48.7178.9-62.6-178.157.900113.3P218 D221 R222 K226P218-Q224 HydrophobicContact CB-CB 4.21Å; P218-Q224 WeakPolarHBondContact CD-O 3.3Å; P218-Q224 HydrophobicContact CG-CB 4.16Å; D221-Q224 HydrophobicContact CB-CB 4.48Å; D221-Q224 HydrophobicContact CB-CG 4.3Å; D221-Q224 PolarHBondContact O-N 3.38Å; D221-Q224 VanDerWaalsContact O-N 3.07Å; D221-Q224 PolarHBondContact OD2-NE2 3.42Å; R222-Q224 PolarHBondContact O-N 2.85Å; R222-Q224 VanDerWaalsContact O-N 3.14Å; Q224-K226 PolarHBondContact O-N 3.46Å; Q224-K226 PolarHBondContact O-NZ 3.5Å
225Q97.4Very high96.9Very high20 Ų2047 Ų479%0.09324%0.243CC..  trans-46.1132.4-175.862.8178.41600112.3R222 V230 D233R222-Q225 VanDerWaalsContact O-CB 3.3Å; R222-Q225 WeakPolarHBondContact O-CB 3.27Å; R222-Q225 VanDerWaalsContact O-CG 3.31Å; R222-Q225 WeakPolarHBondContact O-CG 3.38Å; R222-Q225 PolarHBondContact O-N 2.87Å; Q225-V230 HydrophobicContact CG-CG2 3.6Å; Q225-V230 WeakPolarHBondContact O-CG2 3.35Å; Q225-D233 PolarHBondContact NE2-OD2 3.35Å; Q225-D233 VanDerWaalsContact NE2-OD2 3.1Å
226K98.3Very high96.5Very high33 Ų3352.8 Ų52.814%0.14327%0.271CS..  trans-108.2-2.8-175.6-68.1-72.6172.3-78.10113.5N211 L216 P218 Q224 N248 W251 V252N211-K226 PolarHBondContact ND2-O 3.31Å; L216-K226 PolarHBondContact O-N 3.26Å; L216-K226 VanDerWaalsContact O-N 3.08Å; P218-K226 HydrophobicContact CG-CG 3.69Å; Q224-K226 PolarHBondContact O-N 3.46Å; Q224-K226 PolarHBondContact O-NZ 3.5Å; K226-N248 HydrophobicContact CD-CB 4.08Å; K226-N248 WeakPolarHBondContact CD-OD1 3.43Å; K226-W251 HydrophobicContact CB-CE3 4.11Å; K226-W251 HydrophobicContact CB-CZ3 4.36Å; K226-W251 HydrophobicContact CD-CB 4.39Å; K226-W251 HydrophobicContact CD-CD2 3.9Å; K226-W251 HydrophobicContact CD-CE3 3.95Å; K226-W251 HydrophobicContact CD-CG 4.11Å; K226-W251 HydrophobicContact CG-CD2 4.11Å; K226-W251 HydrophobicContact CG-CE3 3.68Å; K226-W251 HydrophobicContact CG-CH2 4.46Å; K226-W251 HydrophobicContact CG-CZ3 3.9Å; K226-V252 HydrophobicContact CB-CG2 3.77Å
227D98.1Very high96.2Very high1 Ų155.2 Ų55.21%0.00529%0.286CS..SBendtrans-90.8178.9-177.163.9-109.9000113.3W214 R215 L216 Q229 V230W214-D227 VanDerWaalsContact O-CB 3.31Å; W214-D227 WeakPolarHBondContact O-CB 3.31Å; R215-D227 WeakPolarHBondContact CA-OD1 3.31Å; L216-D227 PolarHBondContact N-OD1 2.9Å; D227-Q229 PolarHBondContact O-N 3.29Å; D227-Q229 WeakPolarHBondContact OD2-CA 3.19Å; D227-Q229 WeakPolarHBondContact OD2-CB 3.39Å; D227-Q229 PolarHBondContact OD2-N 2.9Å; D227-V230 WeakPolarHBondContact O-CG2 3.4Å; D227-V230 PolarHBondContact O-N 2.97Å
228K97.6Very high96Very high12 Ų1256.9 Ų56.95%0.05230%0.298CS..THydrogen-bonded Turntrans-58.3-16.5179.1-174.6169.9-171.8174.30115.4I39 T40 N211 D212 V230 Y231 R232 F249I39-K228 HydrophobicContact CD1-CG 4.45Å; T40-K228 WeakPolarHBondContact O-CE 3.49Å; T40-K228 PolarHBondContact O-NZ 3.49Å; N211-K228 WeakPolarHBondContact O-CB 3.28Å; N211-K228 PolarHBondContact O-N 2.91Å; N211-K228 VanDerWaalsContact O-N 3.11Å; D212-K228 HydrophobicContact CB-CD 3.51Å; D212-K228 WeakPolarHBondContact OD1-CD 3.5Å; D212-K228 IonicContact OD1-NZ 2.74Å; D212-K228 IonicContact OD2-NZ 3.38Å; D212-K228 PolarHBondContact OD2-NZ 3.23Å; K228-V230 PolarHBondContact O-N 2.88Å; K228-Y231 WeakPolarHBondContact O-CB 3.18Å; K228-Y231 PolarHBondContact O-N 2.74Å; K228-R232 PolarHBondContact O-N 3.3Å; K228-R232 VanDerWaalsContact O-N 3.11Å; K228-F249 HydrophobicContact CB-CE2 4.47Å; K228-F249 HydrophobicContact CB-CZ 4.1Å
229Q97.1Very high95.8Very high24 Ų2460.9 Ų60.911%0.11232%0.324CS..Hα-helixtrans-56.7-30.5175.1-167.963.853.800111.4D227 Y231 R232 D233D227-Q229 PolarHBondContact O-N 3.29Å; D227-Q229 WeakPolarHBondContact OD2-CA 3.19Å; D227-Q229 WeakPolarHBondContact OD2-CB 3.39Å; D227-Q229 PolarHBondContact OD2-N 2.9Å; Q229-Y231 VanDerWaalsContact C-N 3.33Å; Q229-Y231 PolarHBondContact O-N 3.44Å; Q229-R232 WeakPolarHBondContact O-CB 3.14Å; Q229-R232 PolarHBondContact O-N 2.85Å; Q229-R232 VanDerWaalsContact O-N 3.12Å; Q229-D233 PolarHBondContact NE2-OD1 3.45Å; Q229-D233 WeakPolarHBondContact O-CB 3.23Å; Q229-D233 PolarHBondContact O-N 3.35Å
230V95.9Very high95.7Very high14 Ų1464.2 Ų64.29%0.08533%0.329CS..Hα-helixtrans-55.3-48.5172.4179.80000111.5Q225 D227 K228 D233 L234 M244 V245Q225-V230 HydrophobicContact CG-CG2 3.6Å; Q225-V230 WeakPolarHBondContact O-CG2 3.35Å; D227-V230 WeakPolarHBondContact O-CG2 3.4Å; D227-V230 PolarHBondContact O-N 2.97Å; K228-V230 PolarHBondContact O-N 2.88Å; V230-D233 PolarHBondContact O-N 3.24Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.21Å; V230-M244 HydrophobicContact CG1-CE 3.45Å; V230-M244 VanDerWaalsContact CG1-CE 3.45Å; V230-V245 HydrophobicContact CG1-CG2 3.99Å
231Y96.6Very high95.6Very high0 Ų063.4 Ų63.40%032%0.319CS..Hα-helixtrans-67.7-34.4178.1172.7-105.2000112.5I39 A41 R46 D48 K228 Q229 D233 L234 V237 M242I39-Y231 HydrophobicContact CD1-CD1 3.78Å; I39-Y231 HydrophobicContact CD1-CD2 4.18Å; I39-Y231 HydrophobicContact CD1-CE1 4.27Å; I39-Y231 HydrophobicContact CD1-CG 3.7Å; I39-Y231 HydrophobicContact CG1-CD1 3.87Å; I39-Y231 HydrophobicContact CG1-CE1 3.93Å; I39-Y231 HydrophobicContact CG1-CG 4.28Å; I39-Y231 HydrophobicContact CG2-CD2 4.47Å; I39-Y231 HydrophobicContact CG2-CE1 4.23Å; I39-Y231 HydrophobicContact CG2-CE2 3.98Å; A41-Y231 HydrophobicContact CB-CD1 3.98Å; A41-Y231 HydrophobicContact CB-CE1 3.66Å; R46-Y231 WeakPolarHBondContact CD-OH 3.4Å; R46-Y231 HydrophobicContact CG-CE1 4.47Å; R46-Y231 VanDerWaalsContact CG-OH 3.28Å; R46-Y231 WeakPolarHBondContact CG-OH 3.39Å; R46-Y231 PolarHBondContact NH1-O 2.94Å; D48-Y231 WeakPolarHBondContact OD2-CE2 3.5Å; D48-Y231 PolarHBondContact OD2-OH 3.31Å; K228-Y231 WeakPolarHBondContact O-CB 3.18Å; K228-Y231 PolarHBondContact O-N 2.74Å; Q229-Y231 VanDerWaalsContact C-N 3.33Å; Q229-Y231 PolarHBondContact O-N 3.44Å; Y231-D233 VanDerWaalsContact C-N 3.34Å; Y231-L234 HydrophobicContact CD2-CD1 4.17Å; Y231-V237 HydrophobicContact CE2-CG2 4.33Å; Y231-M242 HydrophobicContact CD2-SD 3.75Å; Y231-M242 HydrophobicContact CE2-CE 4.39Å; Y231-M242 HydrophobicContact CE2-SD 3.68Å
232R94.6Very high95.5Very high94 Ų9461.7 Ų61.736%0.35531%0.309SS..Hα-helixtrans-67.1-35.3175.2-63-177.7-174.8115.3-0.5112A41 K228 Q229 L234A41-R232 HydrophobicContact CB-CG 4.08Å; K228-R232 PolarHBondContact O-N 3.3Å; K228-R232 VanDerWaalsContact O-N 3.11Å; Q229-R232 WeakPolarHBondContact O-CB 3.14Å; Q229-R232 PolarHBondContact O-N 2.85Å; Q229-R232 VanDerWaalsContact O-N 3.12Å; R232-L234 VanDerWaalsContact C-N 3.35Å
233D94.9Very high95.5Very high74 Ų7461.9 Ų61.940%0.39632%0.315SS..Hα-helixtrans-82.1-11.4-176.3-67.4-13.3000113.1R222 Q225 Q229 V230 Y231 K235R222-D233 IonicContact NH2-OD2 3.84Å; Q225-D233 PolarHBondContact NE2-OD2 3.35Å; Q225-D233 VanDerWaalsContact NE2-OD2 3.1Å; Q229-D233 PolarHBondContact NE2-OD1 3.45Å; Q229-D233 WeakPolarHBondContact O-CB 3.23Å; Q229-D233 PolarHBondContact O-N 3.35Å; V230-D233 PolarHBondContact O-N 3.24Å; Y231-D233 VanDerWaalsContact C-N 3.34Å; D233-K235 PolarHBondContact O-N 2.9Å
234L94.2Very high95.5Very high26 Ų2660.4 Ų60.414%0.13630%0.297CS..  trans-60123.7175.4-66.5-179.5000110.7R46 V230 Y231 R232 A241 M244 V245R46-L234 PolarHBondContact NH1-O 3.25Å; R46-L234 PolarHBondContact NH2-O 2.75Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.21Å; Y231-L234 HydrophobicContact CD2-CD1 4.17Å; R232-L234 VanDerWaalsContact C-N 3.35Å; L234-A241 HydrophobicContact CD1-CB 3.8Å; L234-A241 HydrophobicContact CD2-CB 3.85Å; L234-A241 HydrophobicContact CG-CB 4.47Å; L234-M244 HydrophobicContact CD2-CE 4.23Å; L234-V245 HydrophobicContact CD1-CG2 4.28Å
235K92.9Very high95.5Very high200 Ų20056.4 Ų56.487%0.8728%0.279SS*.SBendtrans-65.8-47.2170.8-65.8-176.9179.9179.90110.5D233D233-K235 PolarHBondContact O-N 2.9Å
236E92Very high95.5Very high151 Ų15157.4 Ų57.471%0.70628%0.283SS*.SBendtrans-130145.1176.9-67-178.9-177.900109.9
237V92.5Very high95.5Very high52 Ų5262.5 Ų62.532%0.31530%0.301SS..  trans-94.898.8178.5-176.30000108.2R46 Y231 M242R46-V237 HydrophobicContact CG-CG2 4.47Å; Y231-V237 HydrophobicContact CE2-CG2 4.33Å; V237-M242 HydrophobicContact CG1-CG 3.54Å; V237-M242 HydrophobicContact CG1-SD 3.67Å
238T94.4Very high95.5Very high50 Ų5063.4 Ų63.431%0.30731%0.306SS..  trans-102.2159.8173.483.10000110.8E240 A241 M242T238-E240 WeakPolarHBondContact CB-OE2 3.44Å; T238-E240 PolarHBondContact O-N 3.37Å; T238-E240 PolarHBondContact OG1-N 3.48Å; T238-E240 PolarHBondContact OG1-OE2 3.27Å; T238-A241 PolarHBondContact O-N 3.46Å; T238-A241 PolarHBondContact OG1-N 2.87Å; T238-M242 WeakPolarHBondContact O-CG 3.02Å; T238-M242 PolarHBondContact O-N 3.49Å
239P94.4Very high95.5Very high94 Ų9462.9 Ų62.961%0.6130%0.304SS*.Hα-helixtrans-53.8-40.7174-26.936.3000113M242 Q243P239-M242 PolarHBondContact O-N 3.5Å; P239-Q243 WeakPolarHBondContact O-CG 3.27Å; P239-Q243 PolarHBondContact O-N 2.96Å
240E94.4Very high95.6Very high131 Ų13165.1 Ų65.161%0.61231%0.314SS*.Hα-helixtrans-66.7-42.2-179.9-5869.8-14900111.4T238 M242 Q243 M244T238-E240 WeakPolarHBondContact CB-OE2 3.44Å; T238-E240 PolarHBondContact O-N 3.37Å; T238-E240 PolarHBondContact OG1-N 3.48Å; T238-E240 PolarHBondContact OG1-OE2 3.27Å; E240-M242 VanDerWaalsContact C-N 3.33Å; E240-Q243 PolarHBondContact O-N 2.9Å; E240-M244 PolarHBondContact O-N 2.92Å
241A94.9Very high95.7Very high15 Ų1567.1 Ų67.112%0.12432%0.32CS..Hα-helixtrans-64.5-39.8176.100000111.3L234 T238 M244 V245L234-A241 HydrophobicContact CD1-CB 3.8Å; L234-A241 HydrophobicContact CD2-CB 3.85Å; L234-A241 HydrophobicContact CG-CB 4.47Å; T238-A241 PolarHBondContact O-N 3.46Å; T238-A241 PolarHBondContact OG1-N 2.87Å; A241-M244 WeakPolarHBondContact O-CB 3.28Å; A241-M244 PolarHBondContact O-N 2.86Å; A241-V245 WeakPolarHBondContact O-CG2 3.43Å; A241-V245 PolarHBondContact O-N 3.04Å
242M95.6Very high95.8Very high24 Ų2467.1 Ų67.112%0.11832%0.32CS..Hα-helixtrans-65.8-38.1175.2-75-55.8-62.600112.7I39 D48 M50 Y231 V237 T238 P239 E240 M244 V245 K246I39-M242 HydrophobicContact CG2-CE 3.87Å; D48-M242 HydrophobicContact CB-CE 4.11Å; M50-M242 HydrophobicContact CB-CE 4.18Å; M50-M242 HydrophobicContact CG-CE 4.36Å; M50-M242 HydrophobicContact SD-CE 4.21Å; Y231-M242 HydrophobicContact CD2-SD 3.75Å; Y231-M242 HydrophobicContact CE2-CE 4.39Å; Y231-M242 HydrophobicContact CE2-SD 3.68Å; V237-M242 HydrophobicContact CG1-CG 3.54Å; V237-M242 HydrophobicContact CG1-SD 3.67Å; T238-M242 WeakPolarHBondContact O-CG 3.02Å; T238-M242 PolarHBondContact O-N 3.49Å; P239-M242 PolarHBondContact O-N 3.5Å; E240-M242 VanDerWaalsContact C-N 3.33Å; M242-M244 VanDerWaalsContact C-N 3.33Å; M242-M244 PolarHBondContact O-N 3.17Å; M242-V245 PolarHBondContact O-N 3.07Å; M242-K246 PolarHBondContact O-N 3.42Å
243Q95.6Very high95.9Very high99 Ų9963 Ų6346%0.46331%0.306SS..Hα-helixtrans-63.8-38.4172.5-71.6-61.2-25.200112.1P239 E240 K246 R247P239-Q243 WeakPolarHBondContact O-CG 3.27Å; P239-Q243 PolarHBondContact O-N 2.96Å; E240-Q243 PolarHBondContact O-N 2.9Å; Q243-K246 PolarHBondContact O-N 2.95Å; Q243-R247 WeakPolarHBondContact O-CG 3.28Å; Q243-R247 PolarHBondContact O-N 2.86Å
244M96.4Very high96Very high70 Ų7064.9 Ų64.935%0.34531%0.312SS..Hα-helixtrans-62-44.9172.7178.2-168.86200111.7V230 L234 E240 A241 M242 K246 R247 N248V230-M244 HydrophobicContact CG1-CE 3.45Å; V230-M244 VanDerWaalsContact CG1-CE 3.45Å; L234-M244 HydrophobicContact CD2-CE 4.23Å; E240-M244 PolarHBondContact O-N 2.92Å; A241-M244 WeakPolarHBondContact O-CB 3.28Å; A241-M244 PolarHBondContact O-N 2.86Å; M242-M244 VanDerWaalsContact C-N 3.33Å; M242-M244 PolarHBondContact O-N 3.17Å; M244-K246 VanDerWaalsContact C-N 3.35Å; M244-K246 PolarHBondContact O-N 3.31Å; M244-R247 PolarHBondContact O-N 3.11Å; M244-N248 PolarHBondContact O-N 3.36Å; M244-N248 VanDerWaalsContact O-N 3.08Å
245V97.4Very high96.2Very high1 Ų167 Ų671%0.00632%0.318CS..Hα-helixtrans-59.5-46.6175.6172.90000110.6I39 M50 V230 L234 A241 M242 R247 N248 F249I39-V245 HydrophobicContact CD1-CG1 3.92Å; M50-V245 HydrophobicContact SD-CG1 4.19Å; V230-V245 HydrophobicContact CG1-CG2 3.99Å; L234-V245 HydrophobicContact CD1-CG2 4.28Å; A241-V245 WeakPolarHBondContact O-CG2 3.43Å; A241-V245 PolarHBondContact O-N 3.04Å; M242-V245 PolarHBondContact O-N 3.07Å; V245-R247 PolarHBondContact O-N 3.37Å; V245-N248 WeakPolarHBondContact O-CB 3.3Å; V245-N248 PolarHBondContact O-N 2.98Å; V245-N248 VanDerWaalsContact O-N 3.17Å; V245-F249 HydrophobicContact CG1-CD2 4.04Å; V245-F249 HydrophobicContact CG1-CE2 3.91Å; V245-F249 VanDerWaalsContact O-CD2 3.25Å; V245-F249 WeakPolarHBondContact O-CD2 3.49Å; V245-F249 PolarHBondContact O-N 3.31Å; V245-F249 VanDerWaalsContact O-N 3.09Å
246K97.4Very high96.3Very high40 Ų4057.5 Ų57.517%0.17428%0.277CS..Hα-helixtrans-58.6-47.8177.7-178173171.7166.30112.1M50 E51 M242 Q243 M244 N248 F249 E250M50-K246 HydrophobicContact CE-CB 4.37Å; M50-K246 HydrophobicContact CE-CG 4.49Å; M50-K246 HydrophobicContact CG-CB 4.43Å; M50-K246 HydrophobicContact SD-CB 4.08Å; E51-K246 WeakPolarHBondContact O-CE 3.15Å; E51-K246 PolarHBondContact O-NZ 3.29Å; M242-K246 PolarHBondContact O-N 3.42Å; Q243-K246 PolarHBondContact O-N 2.95Å; M244-K246 VanDerWaalsContact C-N 3.35Å; M244-K246 PolarHBondContact O-N 3.31Å; K246-N248 VanDerWaalsContact C-N 3.26Å; K246-N248 PolarHBondContact O-N 3.45Å; K246-F249 WeakPolarHBondContact O-CA 3.09Å; K246-F249 WeakPolarHBondContact O-CB 3.43Å; K246-F249 PolarHBondContact O-N 3.14Å; K246-E250 WeakPolarHBondContact CE-OE1 3.27Å; K246-E250 HydrophobicContact CG-CG 4.45Å; K246-E250 WeakPolarHBondContact O-CG 3.39Å; K246-E250 PolarHBondContact O-N 2.84Å
247R97.9Very high96.5Very high140 Ų14054.6 Ų54.653%0.52826%0.263SS..Hα-helixtrans-57.8-37.6176-75-170-63.7-103.82.3112.8Q243 M244 V245 E250 W251Q243-R247 WeakPolarHBondContact O-CG 3.28Å; Q243-R247 PolarHBondContact O-N 2.86Å; M244-R247 PolarHBondContact O-N 3.11Å; V245-R247 PolarHBondContact O-N 3.37Å; R247-E250 PolarHBondContact O-N 3.42Å; R247-W251 VanDerWaalsContact O-CB 3.3Å; R247-W251 WeakPolarHBondContact O-CB 3.23Å; R247-W251 PolarHBondContact O-N 2.99Å
248N98.2Very high96.7Very high21 Ų2155 Ų5511%0.11226%0.264CS..Hα-helixtrans-65.7-39.4175.6-72.2-19.5000111.9K226 M244 V245 K246 W251 V252K226-N248 HydrophobicContact CD-CB 4.08Å; K226-N248 WeakPolarHBondContact CD-OD1 3.43Å; M244-N248 PolarHBondContact O-N 3.36Å; M244-N248 VanDerWaalsContact O-N 3.08Å; V245-N248 WeakPolarHBondContact O-CB 3.3Å; V245-N248 PolarHBondContact O-N 2.98Å; V245-N248 VanDerWaalsContact O-N 3.17Å; K246-N248 VanDerWaalsContact C-N 3.26Å; K246-N248 PolarHBondContact O-N 3.45Å; N248-W251 PolarHBondContact O-N 3.42Å; N248-V252 WeakPolarHBondContact O-CG2 3.46Å; N248-V252 PolarHBondContact O-N 3.36Å
249F98.3Very high96.9Very high1 Ų152.7 Ų52.70%0.00425%0.25CC..Hα-helixtrans-66.7-43.2175.7-86.4-118.6000112I39 M50 I56 N211 D212 K228 V245 K246 V252 S253I39-F249 HydrophobicContact CD1-CE2 4.49Å; I39-F249 HydrophobicContact CD1-CZ 4.2Å; M50-F249 HydrophobicContact CE-CB 4.12Å; M50-F249 HydrophobicContact CE-CD1 4Å; M50-F249 HydrophobicContact CE-CG 3.95Å; I56-F249 HydrophobicContact CD1-CB 4.37Å; I56-F249 HydrophobicContact CG2-CB 3.86Å; I56-F249 HydrophobicContact CG2-CD1 4.26Å; I56-F249 WeakPolarHBondContact CG2-O 3.42Å; N211-F249 HydrophobicContact CB-CD1 3.84Å; N211-F249 HydrophobicContact CB-CE1 3.67Å; N211-F249 HydrophobicContact CB-CE2 4.43Å; N211-F249 HydrophobicContact CB-CG 4.28Å; N211-F249 HydrophobicContact CB-CZ 3.99Å; N211-F249 WeakPolarHBondContact ND2-CD2 3.45Å; N211-F249 WeakPolarHBondContact ND2-CE2 3.47Å; D212-F249 WeakPolarHBondContact OD1-CE1 3.31Å; D212-F249 VanDerWaalsContact OD1-CZ 3.26Å; D212-F249 WeakPolarHBondContact OD1-CZ 3.43Å; K228-F249 HydrophobicContact CB-CE2 4.47Å; K228-F249 HydrophobicContact CB-CZ 4.1Å; V245-F249 HydrophobicContact CG1-CD2 4.04Å; V245-F249 HydrophobicContact CG1-CE2 3.91Å; V245-F249 VanDerWaalsContact O-CD2 3.25Å; V245-F249 WeakPolarHBondContact O-CD2 3.49Å; V245-F249 PolarHBondContact O-N 3.31Å; V245-F249 VanDerWaalsContact O-N 3.09Å; K246-F249 WeakPolarHBondContact O-CA 3.09Å; K246-F249 WeakPolarHBondContact O-CB 3.43Å; K246-F249 PolarHBondContact O-N 3.14Å; F249-V252 PolarHBondContact O-N 3.24Å; F249-S253 WeakPolarHBondContact O-CB 3.35Å; F249-S253 PolarHBondContact O-N 3.5Å
250E98.2Very high96.9Very high70 Ų7050 Ų5033%0.32723%0.229SC..Hα-helixtrans-59.6-46.6174.4-70.8167.7166.600111.1I56 K246 R247 V252 S253 E254I56-E250 HydrophobicContact CD1-CG 3.6Å; I56-E250 HydrophobicContact CG1-CG 4.36Å; K246-E250 WeakPolarHBondContact CE-OE1 3.27Å; K246-E250 HydrophobicContact CG-CG 4.45Å; K246-E250 WeakPolarHBondContact O-CG 3.39Å; K246-E250 PolarHBondContact O-N 2.84Å; R247-E250 PolarHBondContact O-N 3.42Å; E250-V252 VanDerWaalsContact C-N 3.26Å; E250-V252 PolarHBondContact O-N 3.3Å; E250-S253 WeakPolarHBondContact O-CB 3.47Å; E250-S253 PolarHBondContact O-N 3.49Å; E250-S253 VanDerWaalsContact O-N 3.07Å; E250-E254 WeakPolarHBondContact O-CG 3.49Å; E250-E254 PolarHBondContact O-N 2.99Å
251W98.5Very high96.7Very high57 Ų5749 Ų4922%0.21623%0.225CC..Hα-helixtrans-55.4-40.3177.7-176100.1000113C185 P218 K226 R247 N248 R255C185-W251 VanDerWaalsContact SG-CH2 3.57Å; P218-W251 HydrophobicContact CG-CH2 4.06Å; P218-W251 HydrophobicContact CG-CZ2 4.41Å; K226-W251 HydrophobicContact CB-CE3 4.11Å; K226-W251 HydrophobicContact CB-CZ3 4.36Å; K226-W251 HydrophobicContact CD-CB 4.39Å; K226-W251 HydrophobicContact CD-CD2 3.9Å; K226-W251 HydrophobicContact CD-CE3 3.95Å; K226-W251 HydrophobicContact CD-CG 4.11Å; K226-W251 HydrophobicContact CG-CD2 4.11Å; K226-W251 HydrophobicContact CG-CE3 3.68Å; K226-W251 HydrophobicContact CG-CH2 4.46Å; K226-W251 HydrophobicContact CG-CZ3 3.9Å; R247-W251 VanDerWaalsContact O-CB 3.3Å; R247-W251 WeakPolarHBondContact O-CB 3.23Å; R247-W251 PolarHBondContact O-N 2.99Å; N248-W251 PolarHBondContact O-N 3.42Å; W251-R255 VanDerWaalsContact CD1-NH1 3.26Å; W251-R255 PolarHBondContact O-N 3.04Å; W251-R255 PolarHBondContact O-NH1 3.42Å
252V98.5Very high96Very high0 Ų053 Ų530%025%0.249CC..Hα-helixtrans-71-44.8176.5171.50000110.8T60 W180 N211 W214 L216 K226 N248 F249 E250 E254 R255 V256T60-V252 HydrophobicContact CG2-CG1 4.46Å; W180-V252 HydrophobicContact CH2-CG1 3.99Å; W180-V252 HydrophobicContact CZ2-CG1 4.08Å; N211-V252 HydrophobicContact CB-CG1 4.44Å; W214-V252 HydrophobicContact CZ2-CG1 3.76Å; L216-V252 HydrophobicContact CD2-CG2 4.17Å; K226-V252 HydrophobicContact CB-CG2 3.77Å; N248-V252 WeakPolarHBondContact O-CG2 3.46Å; N248-V252 PolarHBondContact O-N 3.36Å; F249-V252 PolarHBondContact O-N 3.24Å; E250-V252 VanDerWaalsContact C-N 3.26Å; E250-V252 PolarHBondContact O-N 3.3Å; V252-E254 VanDerWaalsContact C-N 3.27Å; V252-E254 PolarHBondContact O-N 3.27Å; V252-R255 PolarHBondContact O-N 2.95Å; V252-R255 VanDerWaalsContact O-N 3.15Å; V252-V256 WeakPolarHBondContact O-CB 3.31Å; V252-V256 PolarHBondContact O-N 2.89Å
253S97.2Very high95Very high8 Ų855.4 Ų55.46%0.05626%0.261CS..Hα-helixtrans-61.5-32.6179.7-1670000113.5K59 F249 E250 V256K59-S253 WeakPolarHBondContact CD-OG 2.86Å; K59-S253 WeakPolarHBondContact CE-O 3.3Å; F249-S253 WeakPolarHBondContact O-CB 3.35Å; F249-S253 PolarHBondContact O-N 3.5Å; E250-S253 WeakPolarHBondContact O-CB 3.47Å; E250-S253 PolarHBondContact O-N 3.49Å; E250-S253 VanDerWaalsContact O-N 3.07Å; S253-V256 WeakPolarHBondContact O-CG1 3.3Å
254E96.9Very high93.7Very high112 Ų11255 Ų5552%0.52327%0.274SS..Hα-helixtrans-69.9-45.4173-70.5170.3176.900111.5E250 V252E250-E254 WeakPolarHBondContact O-CG 3.49Å; E250-E254 PolarHBondContact O-N 2.99Å; V252-E254 VanDerWaalsContact C-N 3.27Å; V252-E254 PolarHBondContact O-N 3.27Å
255R97.7Very high92.7Very high70 Ų7054.7 Ų54.726%0.26428%0.279SS..Hα-helixtrans-78.9-27.3-174.1-77.2164.9179.468.94.6114.4W180 W251 V252 Q257 L258W180-R255 HydrophobicContact CH2-CB 4.24Å; W180-R255 HydrophobicContact CZ3-CB 3.96Å; W251-R255 VanDerWaalsContact CD1-NH1 3.26Å; W251-R255 PolarHBondContact O-N 3.04Å; W251-R255 PolarHBondContact O-NH1 3.42Å; V252-R255 PolarHBondContact O-N 2.95Å; V252-R255 VanDerWaalsContact O-N 3.15Å; R255-Q257 PolarHBondContact O-N 2.75Å; R255-L258 HydrophobicContact CG-CD1 4.22Å; R255-L258 VanDerWaalsContact O-CB 3.31Å; R255-L258 WeakPolarHBondContact O-CB 3.22Å; R255-L258 PolarHBondContact O-N 3.38Å
256V96.8Very high92.4Very high1 Ų154.8 Ų54.81%0.00628%0.28CS..Hα-helixtrans-61.7-26.4178.3740000111.9T60 C63 V64 W180 V252 S253 L259T60-V256 HydrophobicContact CG2-CG1 4.47Å; T60-V256 HydrophobicContact CG2-CG2 4.25Å; C63-V256 HydrophobicContact CB-CB 4.41Å; C63-V256 HydrophobicContact CB-CG1 3.87Å; C63-V256 HydrophobicContact CB-CG2 3.88Å; V64-V256 HydrophobicContact CG2-CG2 3.78Å; W180-V256 HydrophobicContact CH2-CB 4.25Å; W180-V256 HydrophobicContact CZ2-CB 4.28Å; W180-V256 HydrophobicContact CZ2-CG2 4.28Å; V252-V256 WeakPolarHBondContact O-CB 3.31Å; V252-V256 PolarHBondContact O-N 2.89Å; S253-V256 WeakPolarHBondContact O-CG1 3.3Å; V256-L259 HydrophobicContact CG2-CD1 4.01Å; V256-L259 WeakPolarHBondContact O-CB 3.48Å; V256-L259 WeakPolarHBondContact O-CG 3.36Å; V256-L259 PolarHBondContact O-N 3.1Å
257Q95.8Very high92.4Very high90 Ų9054 Ų5442%0.42128%0.275SS..Hα-helixtrans-67-37.8173.7-66-173.3-60.200112K59 R255 L259 L260K59-Q257 VanDerWaalsContact NZ-CD 3.25Å; R255-Q257 PolarHBondContact O-N 2.75Å; Q257-L259 PolarHBondContact O-N 2.71Å; Q257-L259 VanDerWaalsContact O-N 3.17Å; Q257-L260 WeakPolarHBondContact O-CB 3.34Å; Q257-L260 PolarHBondContact O-N 3.28Å
258L96.8Very high92.4Very high61 Ų6147.3 Ų47.332%0.31925%0.25SS..Hα-helixtrans-64.6-19.5178.7-52176.7000112R255 L260 E261R255-L258 HydrophobicContact CG-CD1 4.22Å; R255-L258 VanDerWaalsContact O-CB 3.31Å; R255-L258 WeakPolarHBondContact O-CB 3.22Å; R255-L258 PolarHBondContact O-N 3.38Å; L258-L260 PolarHBondContact O-N 2.94Å; L258-E261 PolarHBondContact O-N 3.38Å
259L97.3Very high92.4Very high2 Ų246.3 Ų46.31%0.0125%0.245CC..THydrogen-bonded Turntrans-68.5-20175.6-51.9-174.8000112.8L67 A179 W180 Q183 V256 Q257 H396L67-L259 HydrophobicContact CD2-CB 4.24Å; A179-L259 HydrophobicContact CB-CB 4.34Å; A179-L259 HydrophobicContact CB-CD1 4.3Å; A179-L259 HydrophobicContact CB-CD2 4.28Å; A179-L259 WeakPolarHBondContact O-CD2 3.14Å; W180-L259 HydrophobicContact CD2-CD1 3.98Å; W180-L259 HydrophobicContact CD2-CD2 4.41Å; W180-L259 HydrophobicContact CE3-CD1 4.4Å; W180-L259 HydrophobicContact CE3-CD2 4.22Å; W180-L259 HydrophobicContact CG-CD1 4.4Å; W180-L259 HydrophobicContact CH2-CD1 4.38Å; W180-L259 HydrophobicContact CZ2-CD1 3.97Å; Q183-L259 HydrophobicContact CG-CD2 3.65Å; V256-L259 HydrophobicContact CG2-CD1 4.01Å; V256-L259 WeakPolarHBondContact O-CB 3.48Å; V256-L259 WeakPolarHBondContact O-CG 3.36Å; V256-L259 PolarHBondContact O-N 3.1Å; Q257-L259 PolarHBondContact O-N 2.71Å; Q257-L259 VanDerWaalsContact O-N 3.17Å; L259-H396 PolarHBondContact O-NE2 2.78Å
260L95.6Very high92.5Very high36 Ų3646.2 Ų46.219%0.18825%0.245CC..THydrogen-bonded Turntrans-87.9-13.8175.5-62.3171.2000112.4C63 K66 L67 Q257 L258C63-L260 HydrophobicContact CB-CD1 4.3Å; K66-L260 HydrophobicContact CB-CD2 4.27Å; K66-L260 HydrophobicContact CD-CD1 3.99Å; K66-L260 HydrophobicContact CD-CD2 4.46Å; K66-L260 HydrophobicContact CG-CD1 4.46Å; K66-L260 HydrophobicContact CG-CD2 4.12Å; L67-L260 HydrophobicContact CB-CD2 3.68Å; L67-L260 HydrophobicContact CD1-CD2 4.44Å; Q257-L260 WeakPolarHBondContact O-CB 3.34Å; Q257-L260 PolarHBondContact O-N 3.28Å; L258-L260 PolarHBondContact O-N 2.94Å
261E90.9Very high92.5Very high111 Ų11143 Ų4352%0.51923%0.229SC..SBendtrans-76.9130.2-176-66-177.1178.800110.4L258 Q263 H396L258-E261 PolarHBondContact O-N 3.38Å; E261-Q263 PolarHBondContact O-N 3.16Å; E261-H396 PolarHBondContact O-CE1 3.25Å
262P78.1Confident92.5Very high98 Ų9840.3 Ų40.364%0.63622%0.219SC*.PPolyproline II helixtrans-67.6124.4174.527.1-31.3000109.4L397P262-L397 HydrophobicContact CB-CD1 4.13Å
263Q74.6Confident92.5Very high76 Ų7641 Ų4136%0.35523%0.226SC..PPolyproline II helixtrans-67163.7161.8-63-164.6-14.600109.9E261 S265 S394 N395E261-Q263 PolarHBondContact O-N 3.16Å; Q263-S265 PolarHBondContact O-N 3.35Å; Q263-S394 PolarHBondContact OE1-O 3.19Å; Q263-N395 PolarHBondContact O-ND2 3Å
264A69.1Low92.5Very high89 Ų8942.6 Ų42.674%0.73624%0.238SC*.SBendtrans-34.9109.5-179.100000111.6G266A264-G266 PolarHBondContact O-N 3.5Å
265S74.8Confident92.5Very high65 Ų6541.9 Ų41.946%0.45524%0.241SC..  trans-79.1124.5-169.361.40000109.8Q263 V321Q263-S265 PolarHBondContact O-N 3.35Å; S265-V321 WeakPolarHBondContact O-CG1 3.3Å
266G91.8Very high92.6Very high2 Ų242.7 Ų42.72%0.02126%0.258CS..  trans-72.1166.4162.800000111.5A264 P322A264-G266 PolarHBondContact O-N 3.5Å; G266-P322 CarbonylContact C-O 3.6Å; G266-P322 WeakPolarHBondContact CA-O 3.32Å
267R97.2Very high92.6Very high23 Ų2344 Ų449%0.08726%0.264CS..EExtended strand (participates in β ladder)trans-131160.717368.3178.3167.4-147.8-14.8111.9V269 P294 Y316 D319 V321 P322 T323 I324R267-V269 HydrophobicContact CG-CG2 4.38Å; R267-P294 WeakPolarHBondContact CA-O 3.41Å; R267-P294 HydrophobicContact CB-CB 4.27Å; R267-Y316 VanDerWaalsContact NH2-CA 3.32Å; R267-Y316 PolarHBondContact NH2-O 3.12Å; R267-D319 IonicContact CZ-OD1 3.71Å; R267-D319 IonicContact CZ-OD2 2.76Å; R267-D319 IonicContact NH1-OD1 3.54Å; R267-D319 IonicContact NH1-OD2 3.83Å; R267-D319 PolarHBondContact NH1-OD2 2.86Å; R267-D319 IonicContact NH2-OD1 2.74Å; R267-D319 PolarHBondContact NH2-OD1 2.9Å; R267-D319 IonicContact NH2-OD2 2.7Å; R267-D319 PolarHBondContact NH2-OD2 2.98Å; R267-V321 HydrophobicContact CB-CG1 4.41Å; R267-V321 HydrophobicContact CG-CG1 3.98Å; R267-P322 PolarHBondContact N-O 3.41Å; R267-T323 HydrophobicContact CG-CG2 4.08Å; R267-T323 WeakPolarHBondContact CG-OG1 3.33Å; R267-T323 PolarHBondContact NE-OG1 2.88Å; R267-T323 PolarHBondContact NH2-OG1 2.82Å; R267-T323 WeakPolarHBondContact O-CA 3.45Å; R267-I324 PolarHBondContact O-N 3.34Å
268V98.7Very high92.7Very high0 Ų043 Ų430%026%0.261CS..EExtended strand (participates in β ladder)trans-106.9133168.1-178.30000109.2V270 L293 P294 C295 I296 I324 V326 A387V268-V270 HydrophobicContact CG1-CG2 4.17Å; V268-L293 HydrophobicContact CG2-CD1 4.14Å; V268-P294 PolarHBondContact N-O 2.86Å; V268-C295 HydrophobicContact CB-CB 4.33Å; V268-C295 CarbonylContact O-C 3.58Å; V268-C295 VanDerWaalsContact O-CA 3.3Å; V268-C295 WeakPolarHBondContact O-CA 3.43Å; V268-I296 PolarHBondContact O-N 3.33Å; V268-I324 WeakPolarHBondContact CA-O 3.49Å; V268-V326 HydrophobicContact CG1-CG2 3.7Å; V268-A387 HydrophobicContact CG2-CB 3.75Å
269V98.9Very high92.8Very high0 Ų043.6 Ų43.60%027%0.274CS..EExtended strand (participates in β ladder)trans-117.5111.6171.9178.30000108.2R267 L271 I296 R298 Y316 T323 I324 F325 V326R267-V269 HydrophobicContact CG-CG2 4.38Å; V269-L271 HydrophobicContact CG1-CD2 3.63Å; V269-L271 HydrophobicContact CG1-CG 4.26Å; V269-I296 CarbonylContact C-O 3.57Å; V269-I296 WeakPolarHBondContact CA-O 3.25Å; V269-I296 HydrophobicContact CG2-CB 4.5Å; V269-R298 HydrophobicContact CG1-CG 4.34Å; V269-Y316 HydrophobicContact CB-CD2 4.47Å; V269-Y316 HydrophobicContact CB-CE2 4.39Å; V269-Y316 HydrophobicContact CG1-CD2 3.87Å; V269-Y316 HydrophobicContact CG1-CE2 3.47Å; V269-Y316 VanDerWaalsContact CG1-CE2 3.47Å; V269-Y316 HydrophobicContact CG2-CD1 3.91Å; V269-Y316 HydrophobicContact CG2-CD2 4.04Å; V269-Y316 HydrophobicContact CG2-CE1 3.89Å; V269-Y316 HydrophobicContact CG2-CE2 4.04Å; V269-Y316 HydrophobicContact CG2-CG 3.95Å; V269-T323 HydrophobicContact CB-CG2 4.21Å; V269-T323 HydrophobicContact CG2-CG2 3.67Å; V269-I324 PolarHBondContact N-O 3.03Å; V269-F325 HydrophobicContact CB-CD1 3.77Å; V269-F325 HydrophobicContact CB-CE1 3.94Å; V269-F325 HydrophobicContact CG1-CD1 4.02Å; V269-F325 HydrophobicContact CG1-CE1 4.07Å; V269-F325 HydrophobicContact CG2-CE1 4.39Å; V269-F325 WeakPolarHBondContact O-CA 3.43Å; V269-V326 PolarHBondContact O-N 2.75Å
270V98.9Very high92.9Very high0 Ų045 Ų450%028%0.281CS..EExtended strand (participates in β ladder)trans-90.8116.5176.2-174.20000108.4V268 C281 I284 I296 L297 R298 V326 V328V268-V270 HydrophobicContact CG1-CG2 4.17Å; V270-C281 HydrophobicContact CG1-CB 3.95Å; V270-I284 HydrophobicContact CG1-CD1 4.25Å; V270-I284 HydrophobicContact CG2-CB 4.3Å; V270-I284 HydrophobicContact CG2-CG2 3.82Å; V270-I296 PolarHBondContact N-O 3.07Å; V270-L297 HydrophobicContact CB-CD2 3.56Å; V270-L297 HydrophobicContact CG1-CD2 4.18Å; V270-L297 HydrophobicContact CG2-CD2 3.8Å; V270-R298 PolarHBondContact O-N 2.92Å; V270-V326 CarbonylContact C-O 3.47Å; V270-V326 WeakPolarHBondContact CA-O 3.46Å; V270-V326 HydrophobicContact CG2-CB 4.23Å; V270-V328 HydrophobicContact CG1-CG2 3.65Å
271L98.9Very high93Very high1 Ų143.2 Ų43.21%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-101.5118.1176.6-56.8-177.6000108.5V269 R298 T300 I312 F325 V326 V328 L335 M339V269-L271 HydrophobicContact CG1-CD2 3.63Å; V269-L271 HydrophobicContact CG1-CG 4.26Å; L271-R298 HydrophobicContact CD2-CB 3.73Å; L271-R298 HydrophobicContact CD2-CG 4.26Å; L271-T300 HydrophobicContact CB-CG2 4.3Å; L271-T300 HydrophobicContact CD1-CG2 4.43Å; L271-T300 HydrophobicContact CD2-CG2 4.35Å; L271-I312 HydrophobicContact CD2-CG2 4.22Å; L271-F325 HydrophobicContact CD1-CD1 4.1Å; L271-F325 HydrophobicContact CG-CD1 4.38Å; L271-V326 PolarHBondContact N-O 3.38Å; L271-V328 PolarHBondContact O-N 3.44Å; L271-L335 HydrophobicContact CB-CD2 3.99Å; L271-L335 VanDerWaalsContact O-CD2 3.27Å; L271-L335 WeakPolarHBondContact O-CD2 3.43Å; L271-M339 HydrophobicContact CD1-CE 3.5Å; L271-M339 VanDerWaalsContact CD1-CE 3.5Å; L271-M339 HydrophobicContact CD1-CG 3.9Å; L271-M339 HydrophobicContact CD1-SD 3.56Å; L271-M339 VanDerWaalsContact CD1-SD 3.56Å
272M98.8Very high93.4Very high1 Ų141.7 Ų41.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-108.5134.6177.273.7-171.378.800112.4S274 M278 C281 L297 R298 V299 T300 V328M272-S274 VanDerWaalsContact C-N 3.25Å; M272-S274 WeakPolarHBondContact CG-O 3.48Å; M272-S274 PolarHBondContact O-N 3.48Å; M272-M278 HydrophobicContact CE-CE 3.85Å; M272-M278 HydrophobicContact CE-SD 3.81Å; M272-M278 HydrophobicContact SD-CB 4.38Å; M272-M278 HydrophobicContact SD-CE 3.92Å; M272-M278 HydrophobicContact SD-SD 4.29Å; M272-C281 HydrophobicContact CE-CB 3.57Å; M272-C281 VanDerWaalsContact CE-SG 3.51Å; M272-L297 HydrophobicContact CE-CB 4.05Å; M272-L297 HydrophobicContact CE-CD1 4.42Å; M272-R298 PolarHBondContact N-O 3.07Å; M272-V299 HydrophobicContact CG-CB 4.34Å; M272-V299 HydrophobicContact CG-CG1 4.45Å; M272-V299 HydrophobicContact CG-CG2 3.81Å; M272-V299 WeakPolarHBondContact O-CA 3.27Å; M272-V299 HydrophobicContact SD-CG2 4.06Å; M272-T300 CarbonylContact C-O 3.57Å; M272-T300 PolarHBondContact O-N 3.27Å; M272-T300 VanDerWaalsContact O-O 3.07Å; M272-V328 VanDerWaalsContact CA-O 3.31Å; M272-V328 WeakPolarHBondContact CA-O 3.27Å; M272-V328 HydrophobicContact CB-CB 4.37Å
273G97.6Very high94.4Very high14 Ų1442.8 Ų42.814%0.14426%0.259CS..SBendtrans-69.7-21.1178.500000114.6T300 V328G273-T300 WeakPolarHBondContact CA-O 3.38Å; G273-V328 PolarHBondContact N-O 2.96Å
274S97.6Very high95.6Very high42 Ų4239.1 Ų39.129%0.29424%0.242SC..  trans-152.5144.4-175.1179.80000110.4M272 S276 D277M272-S274 VanDerWaalsContact C-N 3.25Å; M272-S274 WeakPolarHBondContact CG-O 3.48Å; M272-S274 PolarHBondContact O-N 3.48Å; S274-S276 WeakPolarHBondContact CB-OG 3.43Å; S274-S276 PolarHBondContact O-N 3.23Å; S274-S276 PolarHBondContact OG-N 3.42Å; S274-S276 PolarHBondContact OG-OG 3.41Å; S274-D277 PolarHBondContact O-N 2.78Å
275T97.8Very high97Very high97 Ų9738.4 Ų38.460%0.59522%0.222SC*.G310 helixtrans-66.5-17.6173.649.90000113D277 M278 V299T275-D277 PolarHBondContact O-N 2.91Å; T275-M278 VanDerWaalsContact O-CB 3.25Å; T275-M278 WeakPolarHBondContact O-CB 3.35Å; T275-M278 PolarHBondContact O-N 2.89Å; T275-V299 HydrophobicContact CG2-CG1 4.32Å; T275-V299 HydrophobicContact CG2-CG2 3.98Å
276S97.8Very high98.1Very high88 Ų8843.2 Ų43.262%0.61524%0.235SC*.G310 helixtrans-58.1-26.3171.558.20000113S274 M278S274-S276 WeakPolarHBondContact CB-OG 3.43Å; S274-S276 PolarHBondContact O-N 3.23Å; S274-S276 PolarHBondContact OG-N 3.42Å; S274-S276 PolarHBondContact OG-OG 3.41Å; S276-M278 VanDerWaalsContact C-N 3.31Å
277D98.1Very high98.4Very high27 Ų2743.7 Ų43.714%0.14424%0.238CC..G310 helixtrans-91.66.7-175.5-53.4-28.7000112.3S274 T275 A279 H280 C281 V328 P352S274-D277 PolarHBondContact O-N 2.78Å; T275-D277 PolarHBondContact O-N 2.91Å; D277-A279 VanDerWaalsContact C-N 3.31Å; D277-A279 PolarHBondContact O-N 3.2Å; D277-H280 WeakPolarHBondContact O-CB 3.46Å; D277-H280 PolarHBondContact O-N 2.86Å; D277-C281 PolarHBondContact O-N 3.3Å; D277-C281 VanDerWaalsContact O-N 3.1Å; D277-C281 PolarHBondContact O-SG 3.37Å; D277-V328 HydrophobicContact CB-CG1 3.94Å; D277-P352 HydrophobicContact CB-CG 4.36Å
278M98.5Very high98.5Very high70 Ų7042.6 Ų42.635%0.34523%0.234SC..Hα-helixtrans-54.4-43.6-177.5-178.263.372.300112.6M272 T275 S276 H280 C281 E282 L297M272-M278 HydrophobicContact CE-CE 3.85Å; M272-M278 HydrophobicContact CE-SD 3.81Å; M272-M278 HydrophobicContact SD-CB 4.38Å; M272-M278 HydrophobicContact SD-CE 3.92Å; M272-M278 HydrophobicContact SD-SD 4.29Å; T275-M278 VanDerWaalsContact O-CB 3.25Å; T275-M278 WeakPolarHBondContact O-CB 3.35Å; T275-M278 PolarHBondContact O-N 2.89Å; S276-M278 VanDerWaalsContact C-N 3.31Å; M278-H280 VanDerWaalsContact C-N 3.25Å; M278-H280 PolarHBondContact O-N 3.44Å; M278-C281 PolarHBondContact O-N 2.94Å; M278-C281 VanDerWaalsContact O-N 3.12Å; M278-E282 HydrophobicContact CG-CG 4.37Å; M278-E282 PolarHBondContact O-N 2.63Å; M278-E282 HydrophobicContact SD-CG 4.26Å; M278-L297 HydrophobicContact SD-CD1 3.88Å
279A98.4Very high98.3Very high73 Ų7346.9 Ų46.960%0.60326%0.261SS*.Hα-helixtrans-63.2-31.5-18000000112.8D277D277-A279 VanDerWaalsContact C-N 3.31Å; D277-A279 PolarHBondContact O-N 3.2Å
280H98.8Very high98.2Very high31 Ų3150.4 Ų50.414%0.14429%0.285CS..Hα-helixtrans-71.9-43.3173.6-172.998.9000110.7D277 M278 E282 K283 I284 C350 P352D277-H280 WeakPolarHBondContact O-CB 3.46Å; D277-H280 PolarHBondContact O-N 2.86Å; M278-H280 VanDerWaalsContact C-N 3.25Å; M278-H280 PolarHBondContact O-N 3.44Å; H280-E282 PolarHBondContact O-N 3.26Å; H280-K283 WeakPolarHBondContact O-CB 3.32Å; H280-K283 PolarHBondContact O-N 3.48Å; H280-I284 PolarHBondContact O-N 3.49Å; H280-C350 PolarHBondContact NE2-SG 3.3Å; H280-C350 VanDerWaalsContact NE2-SG 3.37Å; H280-P352 HydrophobicContact CB-CB 4.21Å
281C98.8Very high98.1Very high0 Ų051.5 Ų51.50%029%0.29CS..Hα-helixtrans-64.5-37.6178.8-59.60000113.1V270 M272 D277 M278 K283 I284 K285 L297V270-C281 HydrophobicContact CG1-CB 3.95Å; M272-C281 HydrophobicContact CE-CB 3.57Å; M272-C281 VanDerWaalsContact CE-SG 3.51Å; D277-C281 PolarHBondContact O-N 3.3Å; D277-C281 VanDerWaalsContact O-N 3.1Å; D277-C281 PolarHBondContact O-SG 3.37Å; M278-C281 PolarHBondContact O-N 2.94Å; M278-C281 VanDerWaalsContact O-N 3.12Å; C281-K283 VanDerWaalsContact C-N 3.28Å; C281-K283 PolarHBondContact O-N 3.06Å; C281-I284 WeakPolarHBondContact O-CB 3.41Å; C281-I284 PolarHBondContact O-N 2.97Å; C281-K285 PolarHBondContact O-N 3.39Å; C281-L297 HydrophobicContact CB-CD1 4.31Å; C281-L297 HydrophobicContact CB-CD2 4.05Å
282E98.7Very high97.8Very high79 Ų7953.8 Ų53.837%0.36931%0.314SS..Hα-helixtrans-65.2-30.6175.8-77.4-65.4167.600112.4M278 H280 K285 K286 L297M278-E282 HydrophobicContact CG-CG 4.37Å; M278-E282 PolarHBondContact O-N 2.63Å; M278-E282 HydrophobicContact SD-CG 4.26Å; H280-E282 PolarHBondContact O-N 3.26Å; E282-K285 PolarHBondContact O-N 3.03Å; E282-K285 IonicContact OE1-NZ 2.67Å; E282-K286 VanDerWaalsContact O-CB 3.3Å; E282-K286 WeakPolarHBondContact O-CB 3.02Å; E282-K286 PolarHBondContact O-N 3.25Å; E282-L297 HydrophobicContact CG-CD1 4.2Å; E282-L297 VanDerWaalsContact OE1-CD1 3.28Å; E282-L297 WeakPolarHBondContact OE1-CD1 3.48Å
283K98.8Very high97.6Very high120 Ų12054.1 Ų54.152%0.52232%0.315SS..Hα-helixtrans-63.6-46171-67.7176-177.8-178.20111.1H280 C281 K285 K286 A287 P380H280-K283 WeakPolarHBondContact O-CB 3.32Å; H280-K283 PolarHBondContact O-N 3.48Å; C281-K283 VanDerWaalsContact C-N 3.28Å; C281-K283 PolarHBondContact O-N 3.06Å; K283-K285 PolarHBondContact O-N 2.67Å; K283-K286 PolarHBondContact O-N 2.96Å; K283-A287 WeakPolarHBondContact O-CB 3.47Å; K283-A287 PolarHBondContact O-N 2.78Å; K283-P380 HydrophobicContact CB-CB 3.85Å; K283-P380 HydrophobicContact CB-CG 3.99Å; K283-P380 HydrophobicContact CD-CG 4Å
284I98.9Very high97.6Very high0 Ų056.4 Ų56.40%033%0.328CS..Hα-helixtrans-58.9-48.6176.2-56.9169.2000109.9V270 H280 C281 K286 A287 C288 V326 V328 C350 P380 A384V270-I284 HydrophobicContact CG1-CD1 4.25Å; V270-I284 HydrophobicContact CG2-CB 4.3Å; V270-I284 HydrophobicContact CG2-CG2 3.82Å; H280-I284 PolarHBondContact O-N 3.49Å; C281-I284 WeakPolarHBondContact O-CB 3.41Å; C281-I284 PolarHBondContact O-N 2.97Å; I284-K286 PolarHBondContact O-N 3.21Å; I284-A287 PolarHBondContact O-N 3.39Å; I284-C288 PolarHBondContact O-N 2.82Å; I284-C288 PolarHBondContact O-SG 2.77Å; I284-C288 VanDerWaalsContact O-SG 3.35Å; I284-V326 HydrophobicContact CD1-CG1 3.94Å; I284-V328 HydrophobicContact CD1-CG2 3.72Å; I284-C350 HydrophobicContact CD1-CB 4.16Å; I284-P380 HydrophobicContact CD1-CB 4.44Å; I284-P380 HydrophobicContact CG1-CB 3.55Å; I284-A384 HydrophobicContact CG2-CB 4.3Å
285K98.8Very high97.6Very high73 Ų7355.2 Ų55.232%0.31732%0.319SS..Hα-helixtrans-60.2-44.3178.8-177.9-179177.5-171.40113.2C281 E282 K283 A287 C288 T289 C295 L297C281-K285 PolarHBondContact O-N 3.39Å; E282-K285 PolarHBondContact O-N 3.03Å; E282-K285 IonicContact OE1-NZ 2.67Å; K283-K285 PolarHBondContact O-N 2.67Å; K285-A287 VanDerWaalsContact C-N 3.33Å; K285-C288 PolarHBondContact O-N 3.12Å; K285-T289 PolarHBondContact O-N 2.97Å; K285-T289 PolarHBondContact O-OG1 2.84Å; K285-C295 VanDerWaalsContact CA-SG 3.59Å; K285-C295 HydrophobicContact CB-CB 4.31Å; K285-C295 HydrophobicContact CG-CB 3.95Å; K285-L297 HydrophobicContact CB-CD2 4.17Å; K285-L297 HydrophobicContact CD-CD1 4.01Å; K285-L297 HydrophobicContact CD-CD2 4.38Å; K285-L297 HydrophobicContact CD-CG 4.02Å
286K98.6Very high97.6Very high167 Ų16753.6 Ų53.673%0.72631%0.306SS*.Hα-helixtrans-61.6-43.5176.2-176.8-179.7178-177.60111E282 K283 I284 T289 S290E282-K286 VanDerWaalsContact O-CB 3.3Å; E282-K286 WeakPolarHBondContact O-CB 3.02Å; E282-K286 PolarHBondContact O-N 3.25Å; K283-K286 PolarHBondContact O-N 2.96Å; I284-K286 PolarHBondContact O-N 3.21Å; K286-T289 WeakPolarHBondContact O-CB 3.39Å; K286-T289 PolarHBondContact O-N 3.12Å; K286-S290 PolarHBondContact O-N 3.23Å
287A98.4Very high97.7Very high11 Ų1151 Ų519%0.09129%0.285CS..Hα-helixtrans-66.9-39.717700000112.4K283 I284 K285 T289 S290 Y291 D381 A384K283-A287 WeakPolarHBondContact O-CB 3.47Å; K283-A287 PolarHBondContact O-N 2.78Å; I284-A287 PolarHBondContact O-N 3.39Å; K285-A287 VanDerWaalsContact C-N 3.33Å; A287-T289 VanDerWaalsContact C-N 3.27Å; A287-T289 PolarHBondContact O-N 2.93Å; A287-S290 PolarHBondContact O-N 3.11Å; A287-S290 PolarHBondContact O-OG 3.26Å; A287-Y291 VanDerWaalsContact O-CD2 3.27Å; A287-Y291 WeakPolarHBondContact O-CD2 3.47Å; A287-D381 HydrophobicContact CB-CB 4.45Å; A287-A384 HydrophobicContact CB-CB 3.41Å; A287-A384 VanDerWaalsContact CB-CB 3.41Å
288C98.2Very high97.7Very high0 Ų052.7 Ų52.70%029%0.29CS..Hα-helixtrans-58.4-41.2172.4-72.60000111.8I284 K285 S290 Y291 G292 L293 C295 A384I284-C288 PolarHBondContact O-N 2.82Å; I284-C288 PolarHBondContact O-SG 2.77Å; I284-C288 VanDerWaalsContact O-SG 3.35Å; K285-C288 PolarHBondContact O-N 3.12Å; C288-S290 VanDerWaalsContact C-N 3.29Å; C288-S290 PolarHBondContact O-N 3.42Å; C288-Y291 CarbonylContact O-C 3.56Å; C288-Y291 PolarHBondContact O-N 3.07Å; C288-Y291 VanDerWaalsContact O-N 3.11Å; C288-G292 PolarHBondContact O-N 2.93Å; C288-L293 HydrophobicContact CB-CB 4.07Å; C288-L293 WeakPolarHBondContact O-CB 3.49Å; C288-L293 PolarHBondContact O-N 3.48Å; C288-C295 HydrophobicContact CB-CB 3.66Å; C288-A384 HydrophobicContact CB-CB 4.5Å; C288-A384 VanDerWaalsContact SG-CB 3.55Å
289T95.8Very high97.7Very high90 Ų9052.8 Ų52.855%0.55229%0.294SS*.Hα-helixtrans-62-36.1-179.7-56.70000112K285 K286 A287 Y291 G292K285-T289 PolarHBondContact O-N 2.97Å; K285-T289 PolarHBondContact O-OG1 2.84Å; K286-T289 WeakPolarHBondContact O-CB 3.39Å; K286-T289 PolarHBondContact O-N 3.12Å; A287-T289 VanDerWaalsContact C-N 3.27Å; A287-T289 PolarHBondContact O-N 2.93Å; T289-Y291 PolarHBondContact O-N 2.86Å; T289-G292 PolarHBondContact O-N 2.77Å
290S96Very high97.7Very high74 Ų7449.8 Ų49.852%0.51727%0.268SS..Hα-helixtrans-64.5-27.9177.980.30000112.6K286 A287 C288 G292K286-S290 PolarHBondContact O-N 3.23Å; A287-S290 PolarHBondContact O-N 3.11Å; A287-S290 PolarHBondContact O-OG 3.26Å; C288-S290 VanDerWaalsContact C-N 3.29Å; C288-S290 PolarHBondContact O-N 3.42Å; S290-G292 VanDerWaalsContact C-N 3.35Å
291Y96.1Very high97.7Very high23 Ų2349.2 Ų49.29%0.0927%0.268CS..THydrogen-bonded Turntrans-87.92.2172.7-63.1-64.8000113.9A287 C288 T289 L293 Q385 A388 K401 L402A287-Y291 VanDerWaalsContact O-CD2 3.27Å; A287-Y291 WeakPolarHBondContact O-CD2 3.47Å; C288-Y291 CarbonylContact O-C 3.56Å; C288-Y291 PolarHBondContact O-N 3.07Å; C288-Y291 VanDerWaalsContact O-N 3.11Å; T289-Y291 PolarHBondContact O-N 2.86Å; Y291-L293 VanDerWaalsContact C-N 3.3Å; Y291-Q385 HydrophobicContact CE2-CB 4.04Å; Y291-Q385 HydrophobicContact CE2-CG 4.36Å; Y291-A388 HydrophobicContact CD1-CB 4.19Å; Y291-A388 HydrophobicContact CD2-CB 3.79Å; Y291-A388 HydrophobicContact CE2-CB 4.42Å; Y291-A388 HydrophobicContact CG-CB 3.67Å; Y291-K401 VanDerWaalsContact C-CD 3.46Å; Y291-K401 HydrophobicContact CD1-CB 4.16Å; Y291-K401 WeakPolarHBondContact O-CD 3.46Å; Y291-L402 HydrophobicContact CD1-CD2 4.07Å; Y291-L402 HydrophobicContact CD1-CG 4.19Å; Y291-L402 HydrophobicContact CE1-CD2 3.59Å; Y291-L402 HydrophobicContact CE1-CG 4.1Å
292G93.9Very high97.7Very high50 Ų5049.8 Ų49.852%0.51527%0.272SS..THydrogen-bonded Turntrans72.620.6-176.900000114C288 T289 S290C288-G292 PolarHBondContact O-N 2.93Å; T289-G292 PolarHBondContact O-N 2.77Å; S290-G292 VanDerWaalsContact C-N 3.35Å
293L94.7Very high97.7Very high7 Ų752 Ų524%0.03728%0.283CS..  trans-91.5125178.6-65.8177.8000111.3V268 C288 Y291 C295 A388 I391 V398V268-L293 HydrophobicContact CG2-CD1 4.14Å; C288-L293 HydrophobicContact CB-CB 4.07Å; C288-L293 WeakPolarHBondContact O-CB 3.49Å; C288-L293 PolarHBondContact O-N 3.48Å; Y291-L293 VanDerWaalsContact C-N 3.3Å; L293-C295 PolarHBondContact O-N 3.01Å; L293-A388 HydrophobicContact CD1-CB 3.79Å; L293-I391 HydrophobicContact CD2-CB 4.08Å; L293-I391 HydrophobicContact CD2-CG1 4.12Å; L293-I391 HydrophobicContact CD2-CG2 3.81Å; L293-V398 HydrophobicContact CD2-CG1 4.35Å; L293-V398 HydrophobicContact CD2-CG2 3.72Å; L293-V398 HydrophobicContact CG-CG2 4.45Å
294P96.1Very high97.6Very high63 Ų6354.4 Ų54.441%0.40929%0.293SS..  trans-57.4129.1165.7-22.133000110.4R267 V268R267-P294 WeakPolarHBondContact CA-O 3.41Å; R267-P294 HydrophobicContact CB-CB 4.27Å; V268-P294 PolarHBondContact N-O 2.86Å
295C98.1Very high97.5Very high17 Ų1755.1 Ų55.112%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-131121.7179.9-179.10000111.3V268 K285 C288 L293V268-C295 HydrophobicContact CB-CB 4.33Å; V268-C295 CarbonylContact O-C 3.58Å; V268-C295 VanDerWaalsContact O-CA 3.3Å; V268-C295 WeakPolarHBondContact O-CA 3.43Å; K285-C295 VanDerWaalsContact CA-SG 3.59Å; K285-C295 HydrophobicContact CB-CB 4.31Å; K285-C295 HydrophobicContact CG-CB 3.95Å; C288-C295 HydrophobicContact CB-CB 3.66Å; L293-C295 PolarHBondContact O-N 3.01Å
296I98.5Very high97.5Very high62 Ų6254.5 Ų54.532%0.31830%0.304SS..EExtended strand (participates in β ladder)trans-109.4135-177.5-53.6171.6000108.9V268 V269 V270 R298 Y316V268-I296 PolarHBondContact O-N 3.33Å; V269-I296 CarbonylContact C-O 3.57Å; V269-I296 WeakPolarHBondContact CA-O 3.25Å; V269-I296 HydrophobicContact CG2-CB 4.5Å; V270-I296 PolarHBondContact N-O 3.07Å; I296-R298 HydrophobicContact CG2-CG 4.37Å; I296-Y316 HydrophobicContact CD1-CE1 3.93Å; I296-Y316 WeakPolarHBondContact CG2-OH 3.44Å
297L98.8Very high97.5Very high34 Ų3452.2 Ų52.218%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-103134175.7-53.5-174.6000109.6V270 M272 M278 C281 E282 K285V270-L297 HydrophobicContact CB-CD2 3.56Å; V270-L297 HydrophobicContact CG1-CD2 4.18Å; V270-L297 HydrophobicContact CG2-CD2 3.8Å; M272-L297 HydrophobicContact CE-CB 4.05Å; M272-L297 HydrophobicContact CE-CD1 4.42Å; M278-L297 HydrophobicContact SD-CD1 3.88Å; C281-L297 HydrophobicContact CB-CD1 4.31Å; C281-L297 HydrophobicContact CB-CD2 4.05Å; E282-L297 HydrophobicContact CG-CD1 4.2Å; E282-L297 VanDerWaalsContact OE1-CD1 3.28Å; E282-L297 WeakPolarHBondContact OE1-CD1 3.48Å; K285-L297 HydrophobicContact CB-CD2 4.17Å; K285-L297 HydrophobicContact CD-CD1 4.01Å; K285-L297 HydrophobicContact CD-CD2 4.38Å; K285-L297 HydrophobicContact CD-CG 4.02Å
298R98.8Very high97.5Very high62 Ų6255 Ų5523%0.23431%0.31CS..EExtended strand (participates in β ladder)trans-135.2153174.2-58.2-68.2-69.2-84.64.7110.2V269 V270 L271 M272 I296 I312 E315 Y316V269-R298 HydrophobicContact CG1-CG 4.34Å; V270-R298 PolarHBondContact O-N 2.92Å; L271-R298 HydrophobicContact CD2-CB 3.73Å; L271-R298 HydrophobicContact CD2-CG 4.26Å; M272-R298 PolarHBondContact N-O 3.07Å; I296-R298 HydrophobicContact CG2-CG 4.37Å; R298-I312 HydrophobicContact CG-CG2 4.42Å; R298-E315 IonicContact CZ-OE2 2.84Å; R298-E315 IonicContact NH1-OE2 3.7Å; R298-E315 PolarHBondContact NH1-OE2 3.43Å; R298-E315 IonicContact NH2-OE1 3.92Å; R298-E315 IonicContact NH2-OE2 2.76Å; R298-E315 PolarHBondContact NH2-OE2 2.89Å; R298-E315 VanDerWaalsContact NH2-OE2 3.13Å; R298-Y316 VanDerWaalsContact CD-OH 3.29Å; R298-Y316 WeakPolarHBondContact CD-OH 3.47Å; R298-Y316 HydrophobicContact CG-CE2 4.05Å; R298-Y316 VanDerWaalsContact CG-OH 3.29Å; R298-Y316 WeakPolarHBondContact CG-OH 3.41Å; R298-Y316 VanDerWaalsContact NH1-CZ 3.32Å; R298-Y316 PolarHBondContact NH1-OH 3.24Å
299V98.8Very high97.5Very high72 Ų7255 Ų5544%0.43631%0.31SS..EExtended strand (participates in β ladder)trans-110122.6175.7-175.80000108.3M272 T275M272-V299 HydrophobicContact CG-CB 4.34Å; M272-V299 HydrophobicContact CG-CG1 4.45Å; M272-V299 HydrophobicContact CG-CG2 3.81Å; M272-V299 WeakPolarHBondContact O-CA 3.27Å; M272-V299 HydrophobicContact SD-CG2 4.06Å; T275-V299 HydrophobicContact CG2-CG1 4.32Å; T275-V299 HydrophobicContact CG2-CG2 3.98Å
300T98.8Very high97.7Very high10 Ų1053.7 Ų53.76%0.06130%0.3CS..  trans-161.4149.6174.8-168.70000110.5L271 M272 G273 T309 I312 L335L271-T300 HydrophobicContact CB-CG2 4.3Å; L271-T300 HydrophobicContact CD1-CG2 4.43Å; L271-T300 HydrophobicContact CD2-CG2 4.35Å; M272-T300 CarbonylContact C-O 3.57Å; M272-T300 PolarHBondContact O-N 3.27Å; M272-T300 VanDerWaalsContact O-O 3.07Å; G273-T300 WeakPolarHBondContact CA-O 3.38Å; T300-T309 HydrophobicContact CG2-CG2 4.02Å; T300-T309 WeakPolarHBondContact OG1-CA 3.39Å; T300-T309 PolarHBondContact OG1-N 3.23Å; T300-T309 PolarHBondContact OG1-OG1 3.48Å; T300-I312 HydrophobicContact CG2-CD1 4.47Å; T300-L335 HydrophobicContact CG2-CD1 4.16Å
301S98.6Very high97.8Very high20 Ų2055.8 Ų55.814%0.1430%0.297CS..  trans-129116.3-173.6-178.90000111.1H303 K304 G305S301-H303 PolarHBondContact O-N 2.99Å; S301-H303 VanDerWaalsContact O-N 3.11Å; S301-K304 PolarHBondContact O-N 3.46Å; S301-K304 VanDerWaalsContact OG-CE 3.29Å; S301-K304 WeakPolarHBondContact OG-CE 3.45Å; S301-K304 PolarHBondContact OG-N 3.06Å; S301-G305 CarbonylContact O-C 3.53Å; S301-G305 WeakPolarHBondContact O-CA 3.46Å; S301-G305 PolarHBondContact O-N 3.18Å
302A98.1Very high97.9Very high11 Ų1154.9 Ų54.99%0.09129%0.293CS..THydrogen-bonded Turntrans-62.4-18.9175.900000114P306 L335 V338A302-P306 WeakPolarHBondContact O-CB 3.42Å; A302-L335 HydrophobicContact CB-CB 4.43Å; A302-L335 HydrophobicContact CB-CD1 4.3Å; A302-V338 HydrophobicContact CB-CB 3.96Å; A302-V338 HydrophobicContact CB-CG1 4.24Å; A302-V338 HydrophobicContact CB-CG2 3.96Å
303H98.1Very high98.2Very high127 Ų12753.5 Ų53.559%0.58827%0.273SS*.THydrogen-bonded Turntrans-91.5-32.5177.2-60159.2000113.3S301 S332S301-H303 PolarHBondContact O-N 2.99Å; S301-H303 VanDerWaalsContact O-N 3.11Å; H303-S332 PolarHBondContact CE1-O 3.41Å; H303-S332 VanDerWaalsContact CE1-O 3.27Å
304K97.7Very high98.3Very high169 Ų16955.4 Ų55.474%0.73529%0.29SS*.THydrogen-bonded Turntrans-107.8-15-172.3-61.7176.4-70176.60113.8S301S301-K304 PolarHBondContact O-N 3.46Å; S301-K304 VanDerWaalsContact OG-CE 3.29Å; S301-K304 WeakPolarHBondContact OG-CE 3.45Å; S301-K304 PolarHBondContact OG-N 3.06Å
305G97.5Very high98.5Very high15 Ų1555.9 Ų55.916%0.15529%0.287CS..  trans-161.662.6179.700000111.2S301 D307 E308 T309S301-G305 CarbonylContact O-C 3.53Å; S301-G305 WeakPolarHBondContact O-CA 3.46Å; S301-G305 PolarHBondContact O-N 3.18Å; G305-D307 VanDerWaalsContact C-N 3.29Å; G305-D307 PolarHBondContact O-N 2.66Å; G305-E308 PolarHBondContact O-N 2.71Å; G305-T309 PolarHBondContact O-N 2.8Å; G305-T309 PolarHBondContact O-OG1 3.3Å
306P98.1Very high98.5Very high60 Ų6056 Ų5639%0.3929%0.285SS..Hα-helixtrans-62.1-35.5-179.923.7-32.4000112.9A302 T309 L310A302-P306 WeakPolarHBondContact O-CB 3.42Å; P306-T309 WeakPolarHBondContact O-CB 3.31Å; P306-T309 PolarHBondContact O-N 2.83Å; P306-L310 WeakPolarHBondContact O-CG 3.44Å; P306-L310 PolarHBondContact O-N 3.1Å
307D98.4Very high98.5Very high119 Ų11955.6 Ų55.664%0.63628%0.282SS*.Hα-helixtrans-58.9-47.8174.759.3-45.8000111.7G305 T309 L310 R311G305-D307 VanDerWaalsContact C-N 3.29Å; G305-D307 PolarHBondContact O-N 2.66Å; D307-T309 VanDerWaalsContact C-N 3.33Å; D307-T309 PolarHBondContact O-N 3.31Å; D307-L310 PolarHBondContact O-N 3.19Å; D307-R311 WeakPolarHBondContact O-CB 3.4Å; D307-R311 PolarHBondContact O-N 3.2Å
308E98.6Very high98.4Very high69 Ų6957.3 Ų57.332%0.32231%0.307SS..Hα-helixtrans-66.2-36.2176.1-179.459.6-166.100111.8G305 L310 R311 I312G305-E308 PolarHBondContact O-N 2.71Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 3.13Å; E308-R311 PolarHBondContact O-N 3.24Å; E308-R311 IonicContact OE1-CZ 2.63Å; E308-R311 IonicContact OE1-NE 2.7Å; E308-R311 PolarHBondContact OE1-NE 3.04Å; E308-R311 IonicContact OE1-NH2 3.42Å; E308-R311 PolarHBondContact OE1-NH2 3.3Å; E308-R311 IonicContact OE2-CZ 3.49Å; E308-R311 IonicContact OE2-NE 3.53Å; E308-R311 PolarHBondContact OE2-NE 3.27Å; E308-R311 IonicContact OE2-NH2 3.49Å; E308-I312 HydrophobicContact CG-CD1 3.95Å; E308-I312 HydrophobicContact CG-CG1 4.36Å; E308-I312 WeakPolarHBondContact O-CB 3.29Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 3.45Å; E308-I312 PolarHBondContact O-N 3.22Å; E308-I312 WeakPolarHBondContact OE1-CD1 3.5Å; E308-I312 WeakPolarHBondContact OE1-CG1 3.49Å
309T98.8Very high98.3Very high0 Ų058.1 Ų58.10%032%0.316CS..Hα-helixtrans-57.1-48.3173.2-55.10000110.8T300 G305 P306 D307 I312 K313 L335 M339T300-T309 HydrophobicContact CG2-CG2 4.02Å; T300-T309 WeakPolarHBondContact OG1-CA 3.39Å; T300-T309 PolarHBondContact OG1-N 3.23Å; T300-T309 PolarHBondContact OG1-OG1 3.48Å; G305-T309 PolarHBondContact O-N 2.8Å; G305-T309 PolarHBondContact O-OG1 3.3Å; P306-T309 WeakPolarHBondContact O-CB 3.31Å; P306-T309 PolarHBondContact O-N 2.83Å; D307-T309 VanDerWaalsContact C-N 3.33Å; D307-T309 PolarHBondContact O-N 3.31Å; T309-I312 PolarHBondContact O-N 2.95Å; T309-K313 WeakPolarHBondContact O-CB 3.41Å; T309-K313 PolarHBondContact O-N 2.96Å; T309-L335 HydrophobicContact CG2-CD1 3.77Å; T309-M339 HydrophobicContact CG2-CG 4.38Å; T309-M339 HydrophobicContact CG2-SD 3.81Å
310L98.8Very high98.1Very high63 Ų6357.6 Ų57.633%0.3333%0.326SS..Hα-helixtrans-67.6-36.2179-65.4175.4000112.3P306 D307 E308 K313 A314 N342P306-L310 WeakPolarHBondContact O-CG 3.44Å; P306-L310 PolarHBondContact O-N 3.1Å; D307-L310 PolarHBondContact O-N 3.19Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 3.13Å; L310-K313 HydrophobicContact CD2-CD 4.44Å; L310-A314 WeakPolarHBondContact O-CB 3.27Å; L310-A314 PolarHBondContact O-N 3.35Å; L310-N342 HydrophobicContact CD2-CB 3.65Å
311R98.8Very high98Very high119 Ų11959.2 Ų59.245%0.44934%0.336SS..Hα-helixtrans-64-48.5175.4-162.9-167.769.466.910.9111.7D307 E308 K313 A314 E315D307-R311 WeakPolarHBondContact O-CB 3.4Å; D307-R311 PolarHBondContact O-N 3.2Å; E308-R311 PolarHBondContact O-N 3.24Å; E308-R311 IonicContact OE1-CZ 2.63Å; E308-R311 IonicContact OE1-NE 2.7Å; E308-R311 PolarHBondContact OE1-NE 3.04Å; E308-R311 IonicContact OE1-NH2 3.42Å; E308-R311 PolarHBondContact OE1-NH2 3.3Å; E308-R311 IonicContact OE2-CZ 3.49Å; E308-R311 IonicContact OE2-NE 3.53Å; E308-R311 PolarHBondContact OE2-NE 3.27Å; E308-R311 IonicContact OE2-NH2 3.49Å; R311-K313 PolarHBondContact O-N 3.47Å; R311-A314 WeakPolarHBondContact O-CB 3.29Å; R311-A314 PolarHBondContact O-N 2.87Å; R311-A314 VanDerWaalsContact O-N 3.17Å; R311-E315 IonicContact CZ-OE1 2.67Å; R311-E315 VanDerWaalsContact CZ-OE1 3.25Å; R311-E315 IonicContact NH1-OE1 2.68Å; R311-E315 PolarHBondContact NH1-OE1 2.64Å; R311-E315 IonicContact NH2-OE1 2.85Å; R311-E315 PolarHBondContact NH2-OE1 2.89Å; R311-E315 PolarHBondContact O-N 3.47Å; R311-E315 VanDerWaalsContact O-N 3.13Å
312I98.8Very high97.9Very high3 Ų361.3 Ų61.32%0.01535%0.348CS..Hα-helixtrans-61.4-43.9177-69.6173.8000111L271 R298 T300 E308 T309 A314 E315 Y316L271-I312 HydrophobicContact CD2-CG2 4.22Å; R298-I312 HydrophobicContact CG-CG2 4.42Å; T300-I312 HydrophobicContact CG2-CD1 4.47Å; E308-I312 HydrophobicContact CG-CD1 3.95Å; E308-I312 HydrophobicContact CG-CG1 4.36Å; E308-I312 WeakPolarHBondContact O-CB 3.29Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 3.45Å; E308-I312 PolarHBondContact O-N 3.22Å; E308-I312 WeakPolarHBondContact OE1-CD1 3.5Å; E308-I312 WeakPolarHBondContact OE1-CG1 3.49Å; T309-I312 PolarHBondContact O-N 2.95Å; I312-A314 VanDerWaalsContact C-N 3.29Å; I312-A314 PolarHBondContact O-N 3.12Å; I312-E315 WeakPolarHBondContact O-CB 3.35Å; I312-E315 PolarHBondContact O-N 3.1Å; I312-Y316 HydrophobicContact CG2-CD2 4.11Å; I312-Y316 HydrophobicContact CG2-CE2 3.73Å; I312-Y316 VanDerWaalsContact O-CD2 3.23Å; I312-Y316 WeakPolarHBondContact O-CD2 3.47Å
313K98.7Very high97.9Very high21 Ų2160.9 Ų60.99%0.09135%0.345CS..Hα-helixtrans-54.2-47.1173.6173.8-161.374.6800111.2T309 L310 R311 E315 Y316 E317 F325 M339 N342T309-K313 WeakPolarHBondContact O-CB 3.41Å; T309-K313 PolarHBondContact O-N 2.96Å; L310-K313 HydrophobicContact CD2-CD 4.44Å; R311-K313 PolarHBondContact O-N 3.47Å; K313-E315 VanDerWaalsContact C-N 3.32Å; K313-E315 PolarHBondContact O-N 2.76Å; K313-Y316 PolarHBondContact O-N 3.38Å; K313-Y316 VanDerWaalsContact O-N 3.1Å; K313-E317 IonicContact NZ-OE1 3.99Å; K313-E317 PolarHBondContact NZ-OE1 3.39Å; K313-E317 IonicContact NZ-OE2 2.67Å; K313-E317 PolarHBondContact NZ-OE2 3.41Å; K313-E317 PolarHBondContact O-N 3.18Å; K313-E317 VanDerWaalsContact O-N 3.08Å; K313-F325 HydrophobicContact CG-CZ 4.39Å; K313-M339 HydrophobicContact CB-CE 3.8Å; K313-M339 HydrophobicContact CB-SD 3.97Å; K313-M339 HydrophobicContact CD-CE 4.18Å; K313-M339 HydrophobicContact CD-SD 4.26Å; K313-M339 HydrophobicContact CG-CE 3.69Å; K313-M339 HydrophobicContact CG-SD 4.22Å; K313-N342 HydrophobicContact CD-CB 4.17Å; K313-N342 WeakPolarHBondContact CD-O 3.39Å; K313-N342 VanDerWaalsContact CE-O 3.26Å; K313-N342 WeakPolarHBondContact CE-O 3.46Å; K313-N342 PolarHBondContact NZ-O 3.21Å
314A98.6Very high98Very high48 Ų4855 Ų5540%0.39732%0.317SS..Hα-helixtrans-63.8-33-179.300000113.2L310 R311 I312 Y316 E317 G318L310-A314 WeakPolarHBondContact O-CB 3.27Å; L310-A314 PolarHBondContact O-N 3.35Å; R311-A314 WeakPolarHBondContact O-CB 3.29Å; R311-A314 PolarHBondContact O-N 2.87Å; R311-A314 VanDerWaalsContact O-N 3.17Å; I312-A314 VanDerWaalsContact C-N 3.29Å; I312-A314 PolarHBondContact O-N 3.12Å; A314-Y316 PolarHBondContact O-N 3.09Å; A314-E317 PolarHBondContact O-N 2.84Å; A314-G318 PolarHBondContact O-N 3.02Å
315E98.6Very high98Very high73 Ų7347 Ų4734%0.34128%0.283SS..Hα-helixtrans-54.6-44171.8-63.9172.3175.700110.8R298 R311 I312 K313R298-E315 IonicContact CZ-OE2 2.84Å; R298-E315 IonicContact NH1-OE2 3.7Å; R298-E315 PolarHBondContact NH1-OE2 3.43Å; R298-E315 IonicContact NH2-OE1 3.92Å; R298-E315 IonicContact NH2-OE2 2.76Å; R298-E315 PolarHBondContact NH2-OE2 2.89Å; R298-E315 VanDerWaalsContact NH2-OE2 3.13Å; R311-E315 IonicContact CZ-OE1 2.67Å; R311-E315 VanDerWaalsContact CZ-OE1 3.25Å; R311-E315 IonicContact NH1-OE1 2.68Å; R311-E315 PolarHBondContact NH1-OE1 2.64Å; R311-E315 IonicContact NH2-OE1 2.85Å; R311-E315 PolarHBondContact NH2-OE1 2.89Å; R311-E315 PolarHBondContact O-N 3.47Å; R311-E315 VanDerWaalsContact O-N 3.13Å; I312-E315 WeakPolarHBondContact O-CB 3.35Å; I312-E315 PolarHBondContact O-N 3.1Å; K313-E315 VanDerWaalsContact C-N 3.32Å; K313-E315 PolarHBondContact O-N 2.76Å
316Y98.4Very high98.1Very high18 Ų1846.2 Ų46.27%0.07128%0.275CS..Hα-helixtrans-85.2-18.5-175-65.2-58.5000114.7R267 V269 I296 R298 I312 K313 A314 F325R267-Y316 VanDerWaalsContact NH2-CA 3.32Å; R267-Y316 PolarHBondContact NH2-O 3.12Å; V269-Y316 HydrophobicContact CB-CD2 4.47Å; V269-Y316 HydrophobicContact CB-CE2 4.39Å; V269-Y316 HydrophobicContact CG1-CD2 3.87Å; V269-Y316 HydrophobicContact CG1-CE2 3.47Å; V269-Y316 VanDerWaalsContact CG1-CE2 3.47Å; V269-Y316 HydrophobicContact CG2-CD1 3.91Å; V269-Y316 HydrophobicContact CG2-CD2 4.04Å; V269-Y316 HydrophobicContact CG2-CE1 3.89Å; V269-Y316 HydrophobicContact CG2-CE2 4.04Å; V269-Y316 HydrophobicContact CG2-CG 3.95Å; I296-Y316 HydrophobicContact CD1-CE1 3.93Å; I296-Y316 WeakPolarHBondContact CG2-OH 3.44Å; R298-Y316 VanDerWaalsContact CD-OH 3.29Å; R298-Y316 WeakPolarHBondContact CD-OH 3.47Å; R298-Y316 HydrophobicContact CG-CE2 4.05Å; R298-Y316 VanDerWaalsContact CG-OH 3.29Å; R298-Y316 WeakPolarHBondContact CG-OH 3.41Å; R298-Y316 VanDerWaalsContact NH1-CZ 3.32Å; R298-Y316 PolarHBondContact NH1-OH 3.24Å; I312-Y316 HydrophobicContact CG2-CD2 4.11Å; I312-Y316 HydrophobicContact CG2-CE2 3.73Å; I312-Y316 VanDerWaalsContact O-CD2 3.23Å; I312-Y316 WeakPolarHBondContact O-CD2 3.47Å; K313-Y316 PolarHBondContact O-N 3.38Å; K313-Y316 VanDerWaalsContact O-N 3.1Å; A314-Y316 PolarHBondContact O-N 3.09Å; Y316-F325 AromaticContact CD2-CE1 3.95Å; Y316-F325 HydrophobicContact CD2-CE1 3.95Å; Y316-F325 HydrophobicContact CG-CE1 4.33Å
317E98.4Very high98.1Very high55 Ų5543.4 Ų43.426%0.25726%0.257SS..Hα-helixtrans-81-28.5169.2-71.4176.1149.300112K313 A314 T343 Y345K313-E317 IonicContact NZ-OE1 3.99Å; K313-E317 PolarHBondContact NZ-OE1 3.39Å; K313-E317 IonicContact NZ-OE2 2.67Å; K313-E317 PolarHBondContact NZ-OE2 3.41Å; K313-E317 PolarHBondContact O-N 3.18Å; K313-E317 VanDerWaalsContact O-N 3.08Å; A314-E317 PolarHBondContact O-N 2.84Å; E317-T343 VanDerWaalsContact OE1-CA 3.3Å; E317-T343 WeakPolarHBondContact OE1-CA 3.38Å; E317-T343 WeakPolarHBondContact OE1-CB 3.31Å; E317-T343 PolarHBondContact OE1-OG1 3.05Å; E317-Y345 HydrophobicContact CB-CE2 4.49Å; E317-Y345 HydrophobicContact CG-CD2 4.18Å; E317-Y345 HydrophobicContact CG-CE2 4.04Å
318G97.8Very high98.2Very high69 Ų6937.8 Ų37.871%0.71123%0.227SC*.Hα-helixtrans-83.7-13.8-169.700000116A314A314-G318 PolarHBondContact O-N 3.02Å
319D96.6Very high98.2Very high79 Ų7935 Ų3542%0.42222%0.215SC..THydrogen-bonded Turntrans-97.71-174.372.72.7000114.6R267 V321R267-D319 IonicContact CZ-OD1 3.71Å; R267-D319 IonicContact CZ-OD2 2.76Å; R267-D319 IonicContact NH1-OD1 3.54Å; R267-D319 IonicContact NH1-OD2 3.83Å; R267-D319 PolarHBondContact NH1-OD2 2.86Å; R267-D319 IonicContact NH2-OD1 2.74Å; R267-D319 PolarHBondContact NH2-OD1 2.9Å; R267-D319 IonicContact NH2-OD2 2.7Å; R267-D319 PolarHBondContact NH2-OD2 2.98Å; D319-V321 VanDerWaalsContact C-N 3.29Å; D319-V321 PolarHBondContact O-N 3.38Å; D319-V321 WeakPolarHBondContact OD1-CB 3.48Å; D319-V321 PolarHBondContact OD1-N 3.03Å
320G94.8Very high98.1Very high62 Ų6236.3 Ų36.364%0.63923%0.23SC*.  trans76.95176.100000115.5
321V95.9Very high98.1Very high44 Ų4443 Ų4327%0.26725%0.251SS..  trans-86.1121.7177.6-178.80000110.3S265 R267 D319 T323S265-V321 WeakPolarHBondContact O-CG1 3.3Å; R267-V321 HydrophobicContact CB-CG1 4.41Å; R267-V321 HydrophobicContact CG-CG1 3.98Å; D319-V321 VanDerWaalsContact C-N 3.29Å; D319-V321 PolarHBondContact O-N 3.38Å; D319-V321 WeakPolarHBondContact OD1-CB 3.48Å; D319-V321 PolarHBondContact OD1-N 3.03Å; V321-T323 PolarHBondContact O-N 2.87Å; V321-T323 VanDerWaalsContact O-N 3.1Å; V321-T323 PolarHBondContact O-OG1 2.9Å
322P96.7Very high98Very high63 Ų6341.3 Ų41.341%0.40926%0.257SS..  trans-54.1120.2175.5-25.534.4000111.1G266 R267G266-P322 CarbonylContact C-O 3.6Å; G266-P322 WeakPolarHBondContact CA-O 3.32Å; R267-P322 PolarHBondContact N-O 3.41Å
323T98.5Very high98Very high3 Ų341.3 Ų41.32%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-124.7137.2-169.8-620000111R267 V269 V321 F325 Y345R267-T323 HydrophobicContact CG-CG2 4.08Å; R267-T323 WeakPolarHBondContact CG-OG1 3.33Å; R267-T323 PolarHBondContact NE-OG1 2.88Å; R267-T323 PolarHBondContact NH2-OG1 2.82Å; R267-T323 WeakPolarHBondContact O-CA 3.45Å; V269-T323 HydrophobicContact CB-CG2 4.21Å; V269-T323 HydrophobicContact CG2-CG2 3.67Å; V321-T323 PolarHBondContact O-N 2.87Å; V321-T323 VanDerWaalsContact O-N 3.1Å; V321-T323 PolarHBondContact O-OG1 2.9Å; T323-F325 HydrophobicContact CG2-CD1 4.31Å; T323-F325 HydrophobicContact CG2-CD2 4.46Å; T323-F325 HydrophobicContact CG2-CE1 3.97Å; T323-F325 HydrophobicContact CG2-CE2 4.16Å; T323-F325 HydrophobicContact CG2-CZ 3.9Å; T323-Y345 WeakPolarHBondContact O-CB 3.38Å
324I98.8Very high98Very high2 Ų241 Ų411%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-111.2127.3167.8-61.2172.8000107.7R267 V268 V269 P346 I348 A387 I390 I391R267-I324 PolarHBondContact O-N 3.34Å; V268-I324 WeakPolarHBondContact CA-O 3.49Å; V269-I324 PolarHBondContact N-O 3.03Å; I324-P346 HydrophobicContact CG1-CG 4.45Å; I324-P346 HydrophobicContact CG2-CB 4.41Å; I324-I348 HydrophobicContact CG2-CD1 3.59Å; I324-I348 HydrophobicContact CG2-CG1 4.24Å; I324-A387 HydrophobicContact CB-CB 4.5Å; I324-A387 HydrophobicContact CD1-CB 3.93Å; I324-A387 VanDerWaalsContact CD1-O 3.3Å; I324-A387 WeakPolarHBondContact CD1-O 3.49Å; I324-A387 HydrophobicContact CG2-CB 4.09Å; I324-I390 HydrophobicContact CD1-CB 3.67Å; I324-I390 HydrophobicContact CD1-CD1 4.09Å; I324-I390 HydrophobicContact CD1-CG1 4.48Å; I324-I390 HydrophobicContact CD1-CG2 3.65Å; I324-I390 HydrophobicContact CG1-CG2 4.38Å; I324-I391 HydrophobicContact CD1-CD1 3.82Å; I324-I391 HydrophobicContact CD1-CG1 3.74Å; I324-I391 HydrophobicContact CG1-CD1 4.29Å
325F98.9Very high98Very high1 Ų138.9 Ų38.90%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-93.1135.5175.9-65.5-75.4000110.8V269 L271 K313 Y316 T323 M339 T343 Y345 P346 V347 I348V269-F325 HydrophobicContact CB-CD1 3.77Å; V269-F325 HydrophobicContact CB-CE1 3.94Å; V269-F325 HydrophobicContact CG1-CD1 4.02Å; V269-F325 HydrophobicContact CG1-CE1 4.07Å; V269-F325 HydrophobicContact CG2-CE1 4.39Å; V269-F325 WeakPolarHBondContact O-CA 3.43Å; L271-F325 HydrophobicContact CD1-CD1 4.1Å; L271-F325 HydrophobicContact CG-CD1 4.38Å; K313-F325 HydrophobicContact CG-CZ 4.39Å; Y316-F325 AromaticContact CD2-CE1 3.95Å; Y316-F325 HydrophobicContact CD2-CE1 3.95Å; Y316-F325 HydrophobicContact CG-CE1 4.33Å; T323-F325 HydrophobicContact CG2-CD1 4.31Å; T323-F325 HydrophobicContact CG2-CD2 4.46Å; T323-F325 HydrophobicContact CG2-CE1 3.97Å; T323-F325 HydrophobicContact CG2-CE2 4.16Å; T323-F325 HydrophobicContact CG2-CZ 3.9Å; F325-M339 HydrophobicContact CB-CE 4.24Å; F325-M339 HydrophobicContact CD1-CE 3.69Å; F325-M339 HydrophobicContact CD2-CE 3.81Å; F325-M339 HydrophobicContact CE1-CE 3.9Å; F325-M339 HydrophobicContact CE2-CE 4Å; F325-M339 HydrophobicContact CG-CE 3.64Å; F325-M339 HydrophobicContact CZ-CE 4.04Å; F325-T343 HydrophobicContact CD2-CG2 4.15Å; F325-T343 HydrophobicContact CE2-CG2 4.32Å; F325-Y345 AromaticContact CE2-CD2 3.97Å; F325-Y345 HydrophobicContact CE2-CD2 3.97Å; F325-P346 PolarHBondContact N-O 2.91Å; F325-V347 HydrophobicContact CB-CG1 4.49Å; F325-V347 HydrophobicContact CB-CG2 4.31Å; F325-V347 WeakPolarHBondContact O-CA 3.08Å; F325-I348 PolarHBondContact O-N 3.15Å
326V98.9Very high98Very high0 Ų035.4 Ų35.40%023%0.225CC..EExtended strand (participates in β ladder)trans-115.8114.5169.8-174.90000108.5V268 V269 V270 L271 I284 V328 I348 C350V268-V326 HydrophobicContact CG1-CG2 3.7Å; V269-V326 PolarHBondContact O-N 2.75Å; V270-V326 CarbonylContact C-O 3.47Å; V270-V326 WeakPolarHBondContact CA-O 3.46Å; V270-V326 HydrophobicContact CG2-CB 4.23Å; L271-V326 PolarHBondContact N-O 3.38Å; I284-V326 HydrophobicContact CD1-CG1 3.94Å; V326-V328 HydrophobicContact CG1-CG2 4.36Å; V326-I348 CarbonylContact C-O 3.59Å; V326-I348 VanDerWaalsContact CA-O 3.3Å; V326-I348 WeakPolarHBondContact CA-O 3.45Å; V326-I348 HydrophobicContact CG2-CB 4.36Å; V326-I348 HydrophobicContact CG2-CD1 4.31Å; V326-C350 HydrophobicContact CG1-CB 3.72Å
327A98.9Very high98.1Very high1 Ų135.7 Ų35.71%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-91.2119.8178.100000110.3L335 I348 C350A327-L335 HydrophobicContact CB-CD2 4.35Å; A327-L335 HydrophobicContact CB-CG 4.1Å; A327-I348 PolarHBondContact N-O 2.85Å; A327-C350 PolarHBondContact O-N 3.41Å
328V98.9Very high98.1Very high0 Ų035.2 Ų35.20%023%0.23CC..EExtended strand (participates in β ladder)trans-113.5101.9176.7-1770000108.3V270 L271 M272 G273 D277 I284 V326 C350 P352V270-V328 HydrophobicContact CG1-CG2 3.65Å; L271-V328 PolarHBondContact O-N 3.44Å; M272-V328 VanDerWaalsContact CA-O 3.31Å; M272-V328 WeakPolarHBondContact CA-O 3.27Å; M272-V328 HydrophobicContact CB-CB 4.37Å; G273-V328 PolarHBondContact N-O 2.96Å; D277-V328 HydrophobicContact CB-CG1 3.94Å; I284-V328 HydrophobicContact CD1-CG2 3.72Å; V326-V328 HydrophobicContact CG1-CG2 4.36Å; V328-C350 HydrophobicContact CG2-CB 4.5Å; V328-P352 HydrophobicContact CG1-CB 4.49Å; V328-P352 HydrophobicContact CG1-CG 4.14Å
329A98.6Very high98.1Very high10 Ų1032 Ų328%0.08320%0.196CC..  trans-141.1123.3176.500000109.6N333 L335A329-N333 HydrophobicContact CB-CB 4.24Å; A329-L335 HydrophobicContact CB-CB 4.09Å
330G97.5Very high98.2Very high29 Ų2929 Ų2930%0.29918%0.182SC..  trans-75.3172.5169.700000112.3
331R97.9Very high98.4Very high204 Ų20428.3 Ų28.377%0.7718%0.175SC*.SBendtrans60.7-136.6-179-52.2-179.2-176.9176.8-0.4111.2N333 D361 S364R331-N333 PolarHBondContact O-N 2.76Å; R331-D361 VanDerWaalsContact CA-CG 3.43Å; R331-D361 WeakPolarHBondContact CA-OD1 3.38Å; R331-D361 WeakPolarHBondContact CA-OD2 3.3Å; R331-D361 PolarHBondContact N-OD2 2.81Å; R331-S364 PolarHBondContact O-OG 3.49Å
332S98.5Very high98.6Very high82 Ų8230.1 Ų30.157%0.57318%0.183SC*.SBendtrans-73.7102.7172.7-173.70000110.2H303 G334H303-S332 PolarHBondContact CE1-O 3.41Å; H303-S332 VanDerWaalsContact CE1-O 3.27Å; S332-G334 PolarHBondContact O-N 3.49Å
333N98.8Very high98.7Very high3 Ų328.1 Ų28.12%0.01617%0.169CC..  trans-74.392.9178.8177.113.7000111.3A329 R331 L335 G336 P337 N349 S364 S365A329-N333 HydrophobicContact CB-CB 4.24Å; R331-N333 PolarHBondContact O-N 2.76Å; N333-L335 PolarHBondContact OD1-N 2.79Å; N333-L335 VanDerWaalsContact OD1-N 3.14Å; N333-G336 PolarHBondContact OD1-N 2.81Å; N333-P337 WeakPolarHBondContact O-CD 3.49Å; N333-P337 WeakPolarHBondContact O-CG 3.43Å; N333-N349 VanDerWaalsContact ND2-CG 3.27Å; N333-N349 PolarHBondContact ND2-OD1 3.38Å; N333-S364 WeakPolarHBondContact CB-OG 3.44Å; N333-S364 PolarHBondContact N-OG 3.43Å; N333-S365 PolarHBondContact ND2-OG 3Å
334G98.4Very high98.7Very high14 Ų1432.8 Ų32.814%0.14421%0.209CC..  trans-86.6-17166.700000114.1S332 V338S332-G334 PolarHBondContact O-N 3.49Å; G334-V338 WeakPolarHBondContact O-CB 3.4Å; G334-V338 VanDerWaalsContact O-CG2 3.27Å; G334-V338 WeakPolarHBondContact O-CG2 3.32Å; G334-V338 PolarHBondContact O-N 2.85Å
335L98.9Very high98.7Very high5 Ų536.1 Ų36.13%0.02622%0.221CC..Hα-helixtrans-66.4-49.3-174.8179.260000112L271 T300 A302 T309 A327 A329 N333 M339L271-L335 HydrophobicContact CB-CD2 3.99Å; L271-L335 VanDerWaalsContact O-CD2 3.27Å; L271-L335 WeakPolarHBondContact O-CD2 3.43Å; T300-L335 HydrophobicContact CG2-CD1 4.16Å; A302-L335 HydrophobicContact CB-CB 4.43Å; A302-L335 HydrophobicContact CB-CD1 4.3Å; T309-L335 HydrophobicContact CG2-CD1 3.77Å; A327-L335 HydrophobicContact CB-CD2 4.35Å; A327-L335 HydrophobicContact CB-CG 4.1Å; A329-L335 HydrophobicContact CB-CB 4.09Å; N333-L335 PolarHBondContact OD1-N 2.79Å; N333-L335 VanDerWaalsContact OD1-N 3.14Å; L335-M339 HydrophobicContact CD1-CG 4.29Å; L335-M339 WeakPolarHBondContact O-CB 3.46Å; L335-M339 VanDerWaalsContact O-CG 3.27Å; L335-M339 WeakPolarHBondContact O-CG 3.43Å; L335-M339 PolarHBondContact O-N 2.84Å
336G98.8Very high98.7Very high0 Ų038.7 Ų38.70%024%0.238CC..Hα-helixtrans-60.6-52.1177.300000113.8N333 V338 M339 S340 N349N333-G336 PolarHBondContact OD1-N 2.81Å; G336-V338 PolarHBondContact O-N 2.79Å; G336-M339 PolarHBondContact O-N 3.17Å; G336-S340 WeakPolarHBondContact O-CB 3.37Å; G336-S340 PolarHBondContact O-N 3.37Å; G336-N349 VanDerWaalsContact CA-OD1 3.24Å; G336-N349 WeakPolarHBondContact CA-OD1 3.47Å
337P98.8Very high98.7Very high23 Ų2339 Ų3915%0.14924%0.24CC..Hα-helixtrans-58.7-44.1177.1-2836.1000113.7N333 M339 S340 G341 L368 L372N333-P337 WeakPolarHBondContact O-CD 3.49Å; N333-P337 WeakPolarHBondContact O-CG 3.43Å; P337-M339 PolarHBondContact O-N 3.13Å; P337-S340 PolarHBondContact O-N 2.88Å; P337-G341 PolarHBondContact O-N 2.8Å; P337-L368 HydrophobicContact CB-CD2 4.28Å; P337-L368 HydrophobicContact CG-CD2 3.67Å; P337-L372 HydrophobicContact CB-CD2 3.85Å; P337-L372 WeakPolarHBondContact O-CD2 3.29Å
338V98.9Very high98.7Very high46 Ų4639 Ų3928%0.27924%0.24SC..Hα-helixtrans-62.7-43.3177167.50000111A302 G334 G336 N342A302-V338 HydrophobicContact CB-CB 3.96Å; A302-V338 HydrophobicContact CB-CG1 4.24Å; A302-V338 HydrophobicContact CB-CG2 3.96Å; G334-V338 WeakPolarHBondContact O-CB 3.4Å; G334-V338 VanDerWaalsContact O-CG2 3.27Å; G334-V338 WeakPolarHBondContact O-CG2 3.32Å; G334-V338 PolarHBondContact O-N 2.85Å; G336-V338 PolarHBondContact O-N 2.79Å; V338-N342 PolarHBondContact O-N 3.31Å; V338-N342 PolarHBondContact O-ND2 3.18Å
339M98.9Very high98.7Very high0 Ų039 Ų390%024%0.24CC..Hα-helixtrans-60.3-52.3173.2-73.5-65.4-62.100111.1L271 T309 K313 F325 L335 G336 P337 G341 N342 T343 V347L271-M339 HydrophobicContact CD1-CE 3.5Å; L271-M339 VanDerWaalsContact CD1-CE 3.5Å; L271-M339 HydrophobicContact CD1-CG 3.9Å; L271-M339 HydrophobicContact CD1-SD 3.56Å; L271-M339 VanDerWaalsContact CD1-SD 3.56Å; T309-M339 HydrophobicContact CG2-CG 4.38Å; T309-M339 HydrophobicContact CG2-SD 3.81Å; K313-M339 HydrophobicContact CB-CE 3.8Å; K313-M339 HydrophobicContact CB-SD 3.97Å; K313-M339 HydrophobicContact CD-CE 4.18Å; K313-M339 HydrophobicContact CD-SD 4.26Å; K313-M339 HydrophobicContact CG-CE 3.69Å; K313-M339 HydrophobicContact CG-SD 4.22Å; F325-M339 HydrophobicContact CB-CE 4.24Å; F325-M339 HydrophobicContact CD1-CE 3.69Å; F325-M339 HydrophobicContact CD2-CE 3.81Å; F325-M339 HydrophobicContact CE1-CE 3.9Å; F325-M339 HydrophobicContact CE2-CE 4Å; F325-M339 HydrophobicContact CG-CE 3.64Å; F325-M339 HydrophobicContact CZ-CE 4.04Å; L335-M339 HydrophobicContact CD1-CG 4.29Å; L335-M339 WeakPolarHBondContact O-CB 3.46Å; L335-M339 VanDerWaalsContact O-CG 3.27Å; L335-M339 WeakPolarHBondContact O-CG 3.43Å; L335-M339 PolarHBondContact O-N 2.84Å; G336-M339 PolarHBondContact O-N 3.17Å; P337-M339 PolarHBondContact O-N 3.13Å; M339-G341 VanDerWaalsContact C-N 3.26Å; M339-G341 PolarHBondContact O-N 2.87Å; M339-N342 CarbonylContact O-C 3.55Å; M339-N342 PolarHBondContact O-N 3.34Å; M339-T343 WeakPolarHBondContact O-CG2 3.27Å; M339-T343 PolarHBondContact O-N 2.87Å; M339-T343 VanDerWaalsContact O-N 3.08Å; M339-V347 HydrophobicContact CB-CG1 4Å; M339-V347 HydrophobicContact CB-CG2 4.09Å
340S98.8Very high98.7Very high17 Ų1738.5 Ų38.512%0.11924%0.236CC..Hα-helixtrans-61.6-29.3-176.1179.80000114G336 P337 N342 G373 C374G336-S340 WeakPolarHBondContact O-CB 3.37Å; G336-S340 PolarHBondContact O-N 3.37Å; P337-S340 PolarHBondContact O-N 2.88Å; S340-N342 VanDerWaalsContact C-N 3.3Å; S340-G373 PolarHBondContact OG-N 2.94Å; S340-C374 PolarHBondContact OG-N 3.47Å
341G98.7Very high98.7Very high48 Ų4837.3 Ų37.350%0.49522%0.223SC..Hα-helixtrans-79.2-12.3175.300000114P337 M339P337-G341 PolarHBondContact O-N 2.8Å; M339-G341 VanDerWaalsContact C-N 3.26Å; M339-G341 PolarHBondContact O-N 2.87Å
342N98.8Very high98.7Very high82 Ų8228.8 Ų28.844%0.43919%0.194SC..Hα-helixtrans-125.84.7-170.2-69.7-84.2000114.2L310 K313 V338 M339 S340L310-N342 HydrophobicContact CD2-CB 3.65Å; K313-N342 HydrophobicContact CD-CB 4.17Å; K313-N342 WeakPolarHBondContact CD-O 3.39Å; K313-N342 VanDerWaalsContact CE-O 3.26Å; K313-N342 WeakPolarHBondContact CE-O 3.46Å; K313-N342 PolarHBondContact NZ-O 3.21Å; V338-N342 PolarHBondContact O-N 3.31Å; V338-N342 PolarHBondContact O-ND2 3.18Å; M339-N342 CarbonylContact O-C 3.55Å; M339-N342 PolarHBondContact O-N 3.34Å; S340-N342 VanDerWaalsContact C-N 3.3Å
343T98.8Very high98.7Very high20 Ų2027.6 Ų27.612%0.12318%0.181CC..  trans-131.5148.4171.3-171.80000111.3E317 F325 M339 Y345 V347E317-T343 VanDerWaalsContact OE1-CA 3.3Å; E317-T343 WeakPolarHBondContact OE1-CA 3.38Å; E317-T343 WeakPolarHBondContact OE1-CB 3.31Å; E317-T343 PolarHBondContact OE1-OG1 3.05Å; F325-T343 HydrophobicContact CD2-CG2 4.15Å; F325-T343 HydrophobicContact CE2-CG2 4.32Å; M339-T343 WeakPolarHBondContact O-CG2 3.27Å; M339-T343 PolarHBondContact O-N 2.87Å; M339-T343 VanDerWaalsContact O-N 3.08Å; T343-Y345 VanDerWaalsContact C-N 3.29Å; T343-Y345 WeakPolarHBondContact CG2-O 3.33Å; T343-Y345 WeakPolarHBondContact OG1-CB 3.3Å; T343-Y345 PolarHBondContact OG1-N 3.15Å; T343-V347 HydrophobicContact CG2-CG2 3.58Å
344A98.6Very high98.6Very high102 Ų10230.8 Ų30.884%0.84320%0.201SC*.SBendtrans-81.6-11.5167.400000112.5
345Y98.6Very high98.6Very high71 Ų7136.4 Ų36.428%0.27824%0.235SC..SBendtrans-79154.2179.6-68.1-10000112.2E317 T323 F325 T343 V347E317-Y345 HydrophobicContact CB-CE2 4.49Å; E317-Y345 HydrophobicContact CG-CD2 4.18Å; E317-Y345 HydrophobicContact CG-CE2 4.04Å; T323-Y345 WeakPolarHBondContact O-CB 3.38Å; F325-Y345 AromaticContact CE2-CD2 3.97Å; F325-Y345 HydrophobicContact CE2-CD2 3.97Å; T343-Y345 VanDerWaalsContact C-N 3.29Å; T343-Y345 WeakPolarHBondContact CG2-O 3.33Å; T343-Y345 WeakPolarHBondContact OG1-CB 3.3Å; T343-Y345 PolarHBondContact OG1-N 3.15Å; Y345-V347 PolarHBondContact O-N 3.03Å
346P98.8Very high98.5Very high56 Ų5642 Ų4236%0.36427%0.265SS..  trans-61.3135.2178.4-22.133.7000112.2I324 F325 I390I324-P346 HydrophobicContact CG1-CG 4.45Å; I324-P346 HydrophobicContact CG2-CB 4.41Å; F325-P346 PolarHBondContact N-O 2.91Å; P346-I390 HydrophobicContact CB-CD1 4.32Å
347V98.9Very high98.5Very high6 Ų650.1 Ų50.14%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-118.9128.8173.1-1720000109.6F325 M339 T343 Y345 S375F325-V347 HydrophobicContact CB-CG1 4.49Å; F325-V347 HydrophobicContact CB-CG2 4.31Å; F325-V347 WeakPolarHBondContact O-CA 3.08Å; M339-V347 HydrophobicContact CB-CG1 4Å; M339-V347 HydrophobicContact CB-CG2 4.09Å; T343-V347 HydrophobicContact CG2-CG2 3.58Å; Y345-V347 PolarHBondContact O-N 3.03Å; V347-S375 PolarHBondContact O-N 2.67Å; V347-S375 VanDerWaalsContact O-N 3.1Å; V347-S375 PolarHBondContact O-OG 3Å
348I98.9Very high98.5Very high0 Ų049.3 Ų49.30%029%0.291CS..EExtended strand (participates in β ladder)trans-116121.3178.9-55.4164.3000108.2I324 F325 V326 A327 I377 A383 F386 A387I324-I348 HydrophobicContact CG2-CD1 3.59Å; I324-I348 HydrophobicContact CG2-CG1 4.24Å; F325-I348 PolarHBondContact O-N 3.15Å; V326-I348 CarbonylContact C-O 3.59Å; V326-I348 VanDerWaalsContact CA-O 3.3Å; V326-I348 WeakPolarHBondContact CA-O 3.45Å; V326-I348 HydrophobicContact CG2-CB 4.36Å; V326-I348 HydrophobicContact CG2-CD1 4.31Å; A327-I348 PolarHBondContact N-O 2.85Å; I348-I377 HydrophobicContact CG2-CB 4.11Å; I348-I377 HydrophobicContact CG2-CD1 3.88Å; I348-I377 HydrophobicContact CG2-CG1 3.99Å; I348-A383 HydrophobicContact CG2-CB 4.4Å; I348-F386 HydrophobicContact CD1-CD1 3.68Å; I348-F386 HydrophobicContact CD1-CE1 4.39Å; I348-F386 HydrophobicContact CG1-CD1 4.01Å; I348-F386 HydrophobicContact CG1-CE1 4.32Å; I348-A387 HydrophobicContact CD1-CB 4.2Å
349N98.9Very high98.4Very high0 Ų050.3 Ų50.30%030%0.304CS..EExtended strand (participates in β ladder)trans-76.4126166-67.8-41.1000109.5N333 G336 S365 C374 S375 T376 I377N333-N349 VanDerWaalsContact ND2-CG 3.27Å; N333-N349 PolarHBondContact ND2-OD1 3.38Å; G336-N349 VanDerWaalsContact CA-OD1 3.24Å; G336-N349 WeakPolarHBondContact CA-OD1 3.47Å; N349-S365 PolarHBondContact ND2-O 2.7Å; N349-C374 PolarHBondContact ND2-SG 3.07Å; N349-S375 WeakPolarHBondContact CB-O 3.5Å; N349-S375 PolarHBondContact N-O 2.68Å; N349-T376 HydrophobicContact CB-CG2 4.18Å; N349-T376 PolarHBondContact ND2-OG1 2.92Å; N349-T376 WeakPolarHBondContact O-CA 3.41Å; N349-I377 PolarHBondContact O-N 2.83Å
350C98.9Very high98.4Very high0 Ų055.5 Ų55.50%033%0.329CS..  trans-129.375.4168.6-161.80000109.1H280 I284 V326 A327 V328 I377 A383H280-C350 PolarHBondContact NE2-SG 3.3Å; H280-C350 VanDerWaalsContact NE2-SG 3.37Å; I284-C350 HydrophobicContact CD1-CB 4.16Å; V326-C350 HydrophobicContact CG1-CB 3.72Å; A327-C350 PolarHBondContact O-N 3.41Å; V328-C350 HydrophobicContact CG2-CB 4.5Å; C350-I377 WeakPolarHBondContact CA-O 3.32Å; C350-I377 PolarHBondContact SG-O 3.28Å; C350-A383 HydrophobicContact CB-CB 4.01Å
351P98.6Very high98.4Very high4 Ų456.6 Ų56.63%0.02633%0.333CS..  trans-70.4138.6-175.427.9-33.1000110.9L353 L378P351-L353 HydrophobicContact CB-CD2 3.84Å; P351-L353 HydrophobicContact CB-CG 4.12Å; P351-L353 HydrophobicContact CG-CD1 4.26Å; P351-L353 HydrophobicContact CG-CD2 3.99Å; P351-L353 HydrophobicContact CG-CG 3.94Å; P351-L353 PolarHBondContact O-N 2.74Å; P351-L378 HydrophobicContact CG-CD2 4.27Å
352P98.3Very high98.4Very high26 Ų2655.3 Ų55.317%0.16932%0.316CS..  trans-79.165.2179.334-35.1000111.2D277 H280 V328D277-P352 HydrophobicContact CB-CG 4.36Å; H280-P352 HydrophobicContact CB-CB 4.21Å; V328-P352 HydrophobicContact CG1-CB 4.49Å; V328-P352 HydrophobicContact CG1-CG 4.14Å
353L98.1Very high98.4Very high56 Ų5658.4 Ų58.429%0.29332%0.321SS..  trans-66.9142-174.9-56.4179.5000112.3P351 D361 V362 L378P351-L353 HydrophobicContact CB-CD2 3.84Å; P351-L353 HydrophobicContact CB-CG 4.12Å; P351-L353 HydrophobicContact CG-CD1 4.26Å; P351-L353 HydrophobicContact CG-CD2 3.99Å; P351-L353 HydrophobicContact CG-CG 3.94Å; P351-L353 PolarHBondContact O-N 2.74Å; L353-D361 HydrophobicContact CD2-CB 3.86Å; L353-V362 HydrophobicContact CD1-CB 3.87Å; L353-V362 HydrophobicContact CD1-CG2 3.99Å; L353-V362 HydrophobicContact CD2-CB 4.46Å; L353-L378 HydrophobicContact CD1-CD1 4.43Å; L353-L378 HydrophobicContact CD1-CD2 3.81Å
354T96.9Very high98.4Very high71 Ų7158.9 Ų58.944%0.43633%0.326SS..  trans-119.1162.4169.267.70000110.4D356 G358T354-D356 PolarHBondContact O-N 3.28Å; T354-G358 VanDerWaalsContact O-CA 3.22Å; T354-G358 WeakPolarHBondContact O-CA 3.42Å; T354-G358 PolarHBondContact O-N 3.19Å
355P97.8Very high98.4Very high132 Ų13254.1 Ų54.186%0.85729%0.286SS*.THydrogen-bonded Turntrans-59.4-27.7178.2-26.436.6000114.4
356D97.4Very high98.4Very high122 Ų12255 Ų5565%0.65230%0.295SS*.THydrogen-bonded Turntrans-63.8-44.8-174-55.5-36.2000112.6T354T354-D356 PolarHBondContact O-N 3.28Å
357W97.8Very high98.4Very high171 Ų17161.8 Ų61.865%0.64831%0.313SS*.THydrogen-bonded Turntrans-135.3-1.8-172.2-62.8106.4000114.3A359 Q360 D361W357-A359 PolarHBondContact O-N 3.26Å; W357-A359 VanDerWaalsContact O-N 3.16Å; W357-Q360 PolarHBondContact O-N 3.37Å; W357-Q360 PolarHBondContact O-OE1 3.23Å; W357-D361 PolarHBondContact O-N 3.21Å
358G98.1Very high98.4Very high6 Ų663.7 Ų63.76%0.06232%0.323CS..Hα-helixtrans-61.2-31.1-172.300000113.7T354 Q360 V362T354-G358 VanDerWaalsContact O-CA 3.22Å; T354-G358 WeakPolarHBondContact O-CA 3.42Å; T354-G358 PolarHBondContact O-N 3.19Å; G358-Q360 VanDerWaalsContact C-N 3.26Å; G358-Q360 PolarHBondContact O-N 3.37Å; G358-V362 WeakPolarHBondContact O-CB 3.4Å; G358-V362 WeakPolarHBondContact O-CG1 3.34Å; G358-V362 PolarHBondContact O-N 3.43Å; G358-V362 VanDerWaalsContact O-N 3.11Å
359A98Very high98.3Very high67 Ų6768.1 Ų68.155%0.55435%0.352SS*.Hα-helixtrans-65.6-28.7177.300000113W357 W363W357-A359 PolarHBondContact O-N 3.26Å; W357-A359 VanDerWaalsContact O-N 3.16Å; A359-W363 VanDerWaalsContact O-CD1 3.24Å; A359-W363 PolarHBondContact O-NE1 3.27Å
360Q98.6Very high98.3Very high109 Ų10973.9 Ų73.951%0.50939%0.392SS..Hα-helixtrans-88.3-45.6176.1-63.473.83300110.4W357 G358 V362 W363W357-Q360 PolarHBondContact O-N 3.37Å; W357-Q360 PolarHBondContact O-OE1 3.23Å; G358-Q360 VanDerWaalsContact C-N 3.26Å; G358-Q360 PolarHBondContact O-N 3.37Å; Q360-V362 VanDerWaalsContact C-N 3.34Å; Q360-V362 PolarHBondContact O-N 2.89Å; Q360-W363 PolarHBondContact O-N 3.44Å
361D98.6Very high98.2Very high39 Ų3977.9 Ų77.921%0.20943%0.433CS..Hα-helixtrans-62.7-37.3-174.6-74-12.6000113.1R331 L353 W357 W363 S364R331-D361 VanDerWaalsContact CA-CG 3.43Å; R331-D361 WeakPolarHBondContact CA-OD1 3.38Å; R331-D361 WeakPolarHBondContact CA-OD2 3.3Å; R331-D361 PolarHBondContact N-OD2 2.81Å; L353-D361 HydrophobicContact CD2-CB 3.86Å; W357-D361 PolarHBondContact O-N 3.21Å; D361-W363 PolarHBondContact O-N 3.32Å; D361-W363 VanDerWaalsContact O-N 3.1Å; D361-S364 WeakPolarHBondContact O-CB 3.41Å; D361-S364 PolarHBondContact O-N 2.91Å; D361-S364 VanDerWaalsContact O-N 3.09Å; D361-S364 PolarHBondContact O-OG 2.89Å
362V98.7Very high98.1Very high22 Ų2280 Ų8013%0.13344%0.444CS..THydrogen-bonded Turntrans-57.2-31.6-175.969.80000113.2L353 G358 Q360 S364 S365 L366 L378L353-V362 HydrophobicContact CD1-CB 3.87Å; L353-V362 HydrophobicContact CD1-CG2 3.99Å; L353-V362 HydrophobicContact CD2-CB 4.46Å; G358-V362 WeakPolarHBondContact O-CB 3.4Å; G358-V362 WeakPolarHBondContact O-CG1 3.34Å; G358-V362 PolarHBondContact O-N 3.43Å; G358-V362 VanDerWaalsContact O-N 3.11Å; Q360-V362 VanDerWaalsContact C-N 3.34Å; Q360-V362 PolarHBondContact O-N 2.89Å; V362-S364 PolarHBondContact O-N 2.97Å; V362-S365 WeakPolarHBondContact O-CB 3.41Å; V362-S365 PolarHBondContact O-N 2.84Å; V362-L366 HydrophobicContact CG1-CD1 4.47Å; V362-L366 HydrophobicContact CG2-CD1 3.92Å; V362-L366 HydrophobicContact CG2-CG 4.25Å; V362-L366 PolarHBondContact O-N 3.44Å; V362-L378 HydrophobicContact CG2-CD2 3.93Å
363W98.7Very high98.1Very high147 Ų14782.2 Ų82.256%0.55747%0.472SS*.Hα-helixtrans-63.1-27.4-178.4-71.5104.8000113.2A359 Q360 D361 S365 L366 R367A359-W363 VanDerWaalsContact O-CD1 3.24Å; A359-W363 PolarHBondContact O-NE1 3.27Å; Q360-W363 PolarHBondContact O-N 3.44Å; D361-W363 PolarHBondContact O-N 3.32Å; D361-W363 VanDerWaalsContact O-N 3.1Å; W363-S365 PolarHBondContact O-N 2.82Å; W363-L366 HydrophobicContact CE3-CB 4.43Å; W363-L366 HydrophobicContact CE3-CD1 4.35Å; W363-L366 PolarHBondContact O-N 3.41Å; W363-R367 HydrophobicContact CE3-CG 3.85Å; W363-R367 HydrophobicContact CZ3-CG 4.17Å; W363-R367 PolarHBondContact O-N 3.39Å
364S98.7Very high98Very high30 Ų3080.3 Ų80.321%0.2146%0.463CS..Hα-helixtrans-64.7-24.1174.368.70000113.1R331 N333 D361 V362R331-S364 PolarHBondContact O-OG 3.49Å; N333-S364 WeakPolarHBondContact CB-OG 3.44Å; N333-S364 PolarHBondContact N-OG 3.43Å; D361-S364 WeakPolarHBondContact O-CB 3.41Å; D361-S364 PolarHBondContact O-N 2.91Å; D361-S364 VanDerWaalsContact O-N 3.09Å; D361-S364 PolarHBondContact O-OG 2.89Å; V362-S364 PolarHBondContact O-N 2.97Å
365S98.8Very high98.1Very high1 Ų178.7 Ų78.71%0.00746%0.455CS..Hα-helixtrans-91.5-23.1175.8-590000113.1N333 N349 V362 W363 T376N333-S365 PolarHBondContact ND2-OG 3Å; N349-S365 PolarHBondContact ND2-O 2.7Å; V362-S365 WeakPolarHBondContact O-CB 3.41Å; V362-S365 PolarHBondContact O-N 2.84Å; W363-S365 PolarHBondContact O-N 2.82Å; S365-T376 WeakPolarHBondContact CB-OG1 3.31Å; S365-T376 PolarHBondContact O-OG1 3.12Å
366L98.7Very high98.1Very high91 Ų9174.2 Ų74.248%0.47643%0.425SS..Hα-helixtrans-95.6-41.6-172.8-67175000114.2V362 W363 T376V362-L366 HydrophobicContact CG1-CD1 4.47Å; V362-L366 HydrophobicContact CG2-CD1 3.92Å; V362-L366 HydrophobicContact CG2-CG 4.25Å; V362-L366 PolarHBondContact O-N 3.44Å; W363-L366 HydrophobicContact CE3-CB 4.43Å; W363-L366 HydrophobicContact CE3-CD1 4.35Å; W363-L366 PolarHBondContact O-N 3.41Å; L366-T376 HydrophobicContact CD2-CG2 4.12Å
367R98.5Very high98.2Very high197 Ų19769.8 Ų69.874%0.74340%0.401SS*.SBendtrans-100.994.9-174.3-75.2-177.962.9834.9110.4W363W363-R367 HydrophobicContact CE3-CG 3.85Å; W363-R367 HydrophobicContact CZ3-CG 4.17Å; W363-R367 PolarHBondContact O-N 3.39Å
368L98.6Very high98.2Very high46 Ų4666.2 Ų66.224%0.24139%0.394CS..  trans-106.8156.6-175.2-53.1-177.5000111.9P337 L372 C374P337-L368 HydrophobicContact CB-CD2 4.28Å; P337-L368 HydrophobicContact CG-CD2 3.67Å; L368-L372 HydrophobicContact CB-CB 4.24Å; L368-L372 HydrophobicContact CB-CD2 4.48Å; L368-L372 HydrophobicContact CD1-CB 4.15Å; L368-C374 HydrophobicContact CD1-CB 3.59Å
369P98.3Very high98.3Very high94 Ų9468.3 Ų68.361%0.6141%0.408SS*.  trans-57.7161.4164.5-20.832.9000112L372P369-L372 HydrophobicContact CB-CD1 4.19Å
370S97.4Very high98.3Very high120 Ų12066 Ų6684%0.83939%0.387SS*.THydrogen-bonded Turntrans-63.1150.3175.553.20000111.9
371G96.6Very high98.3Very high84 Ų8465.2 Ų65.287%0.86639%0.386SS*.THydrogen-bonded Turntrans87.30.218000000115.2
372L98.4Very high98.3Very high48 Ų4864.8 Ų64.825%0.25139%0.388SS..  trans-103.7125.5176-73.978.3000111.1P337 L368 P369P337-L372 HydrophobicContact CB-CD2 3.85Å; P337-L372 WeakPolarHBondContact O-CD2 3.29Å; L368-L372 HydrophobicContact CB-CB 4.24Å; L368-L372 HydrophobicContact CB-CD2 4.48Å; L368-L372 HydrophobicContact CD1-CB 4.15Å; P369-L372 HydrophobicContact CB-CD1 4.19Å
373G96.8Very high98.3Very high73 Ų7363.8 Ų63.875%0.75338%0.382SS*.  trans-98.315.2179.600000114.8S340 S375S340-G373 PolarHBondContact OG-N 2.94Å; G373-S375 PolarHBondContact O-N 3.25Å
374C96.1Very high98.3Very high16 Ų1656.8 Ų56.811%0.10836%0.355CS..  trans-62.9124.8-174.9-158.60000111.6S340 N349 L368S340-C374 PolarHBondContact OG-N 3.47Å; N349-C374 PolarHBondContact ND2-SG 3.07Å; L368-C374 HydrophobicContact CD1-CB 3.59Å
375S98.8Very high98.3Very high37 Ų3758.4 Ų58.426%0.25936%0.36SS..EExtended strand (participates in β ladder)trans-87162.9174.463.60000111V347 N349 G373V347-S375 PolarHBondContact O-N 2.67Å; V347-S375 VanDerWaalsContact O-N 3.1Å; V347-S375 PolarHBondContact O-OG 3Å; N349-S375 WeakPolarHBondContact CB-O 3.5Å; N349-S375 PolarHBondContact N-O 2.68Å; G373-S375 PolarHBondContact O-N 3.25Å
376T98.9Very high98.3Very high38 Ų3861.7 Ų61.723%0.23337%0.374CS..EExtended strand (participates in β ladder)trans-131.3126.8176.5-60.70000111.1N349 S365 L366 L378N349-T376 HydrophobicContact CB-CG2 4.18Å; N349-T376 PolarHBondContact ND2-OG1 2.92Å; N349-T376 WeakPolarHBondContact O-CA 3.41Å; S365-T376 WeakPolarHBondContact CB-OG1 3.31Å; S365-T376 PolarHBondContact O-OG1 3.12Å; L366-T376 HydrophobicContact CD2-CG2 4.12Å; T376-L378 HydrophobicContact CG2-CD2 3.97Å
377I98.9Very high98.3Very high29 Ų2957.4 Ų57.415%0.14935%0.352CS..  trans-134.1118.4179.3-59.1178.2000108.8I348 N349 C350 A382 A383 F386I348-I377 HydrophobicContact CG2-CB 4.11Å; I348-I377 HydrophobicContact CG2-CD1 3.88Å; I348-I377 HydrophobicContact CG2-CG1 3.99Å; N349-I377 PolarHBondContact O-N 2.83Å; C350-I377 WeakPolarHBondContact CA-O 3.32Å; C350-I377 PolarHBondContact SG-O 3.28Å; I377-A382 HydrophobicContact CG2-CB 3.62Å; I377-A383 HydrophobicContact CB-CB 4.31Å; I377-A383 HydrophobicContact CG2-CB 4.17Å; I377-F386 HydrophobicContact CD1-CB 3.19Å; I377-F386 HydrophobicContact CD1-CD1 3.29Å; I377-F386 HydrophobicContact CD1-CD2 4.17Å; I377-F386 HydrophobicContact CD1-CE1 4.14Å; I377-F386 HydrophobicContact CD1-CG 3.29Å
378L98.7Very high98.3Very high96 Ų9648 Ų4850%0.50332%0.316SS..  trans-79.3-32.8-170.8-54.2-173.7000113.5P351 L353 V362 T376P351-L378 HydrophobicContact CG-CD2 4.27Å; L353-L378 HydrophobicContact CD1-CD1 4.43Å; L353-L378 HydrophobicContact CD1-CD2 3.81Å; V362-L378 HydrophobicContact CG2-CD2 3.93Å; T376-L378 HydrophobicContact CG2-CD2 3.97Å
379S98.7Very high98.3Very high50 Ų5050.2 Ų50.235%0.3533%0.325SS..  trans-83.7130.6-179.9164.70000110.5D381 A382 A383S379-D381 VanDerWaalsContact C-N 3.32Å; S379-D381 PolarHBondContact O-N 3.32Å; S379-D381 PolarHBondContact OG-N 2.88Å; S379-A382 PolarHBondContact O-N 3.49Å; S379-A382 PolarHBondContact OG-N 2.97Å; S379-A383 PolarHBondContact O-N 2.84Å
380P98.7Very high98.3Very high18 Ų1848 Ų4812%0.11731%0.308CS..Hα-helixtrans-63-38.417724.4-32.8000112.2K283 I284 A382 A383 A384K283-P380 HydrophobicContact CB-CB 3.85Å; K283-P380 HydrophobicContact CB-CG 3.99Å; K283-P380 HydrophobicContact CD-CG 4Å; I284-P380 HydrophobicContact CD1-CB 4.44Å; I284-P380 HydrophobicContact CG1-CB 3.55Å; P380-A382 VanDerWaalsContact C-N 3.34Å; P380-A383 PolarHBondContact O-N 3.3Å; P380-A384 PolarHBondContact O-N 3.02Å
381D98.4Very high98.2Very high94 Ų9442.7 Ų42.750%0.50327%0.27SS..Hα-helixtrans-66.1-40176.3-61.4-42.3000110.8A287 S379 A384 Q385A287-D381 HydrophobicContact CB-CB 4.45Å; S379-D381 VanDerWaalsContact C-N 3.32Å; S379-D381 PolarHBondContact O-N 3.32Å; S379-D381 PolarHBondContact OG-N 2.88Å; D381-A384 PolarHBondContact O-N 3.2Å; D381-Q385 WeakPolarHBondContact O-CB 3.37Å; D381-Q385 PolarHBondContact O-N 3.3Å
382A98.6Very high98.2Very high30 Ų3038.8 Ų38.825%0.24823%0.23CC..Hα-helixtrans-70.6-31.6177.900000112.5I377 S379 P380 Q385 F386I377-A382 HydrophobicContact CG2-CB 3.62Å; S379-A382 PolarHBondContact O-N 3.49Å; S379-A382 PolarHBondContact OG-N 2.97Å; P380-A382 VanDerWaalsContact C-N 3.34Å; A382-Q385 PolarHBondContact O-N 2.9Å; A382-F386 WeakPolarHBondContact O-CB 3.48Å; A382-F386 PolarHBondContact O-N 3.09Å
383A98.8Very high98.1Very high0 Ų043.2 Ų43.20%025%0.253CS..Hα-helixtrans-64.9-43.6175.200000110.9I348 C350 I377 S379 P380 F386 A387I348-A383 HydrophobicContact CG2-CB 4.4Å; C350-A383 HydrophobicContact CB-CB 4.01Å; I377-A383 HydrophobicContact CB-CB 4.31Å; I377-A383 HydrophobicContact CG2-CB 4.17Å; S379-A383 PolarHBondContact O-N 2.84Å; P380-A383 PolarHBondContact O-N 3.3Å; A383-F386 PolarHBondContact O-N 2.74Å; A383-A387 WeakPolarHBondContact O-CB 3.23Å; A383-A387 PolarHBondContact O-N 3.49Å
384A98.7Very high97.9Very high0 Ų043.6 Ų43.60%024%0.244CC..Hα-helixtrans-63.7-41.9171.600000112.3I284 A287 C288 P380 D381 A387 A388I284-A384 HydrophobicContact CG2-CB 4.3Å; A287-A384 HydrophobicContact CB-CB 3.41Å; A287-A384 VanDerWaalsContact CB-CB 3.41Å; C288-A384 HydrophobicContact CB-CB 4.5Å; C288-A384 VanDerWaalsContact SG-CB 3.55Å; P380-A384 PolarHBondContact O-N 3.02Å; D381-A384 PolarHBondContact O-N 3.2Å; A384-A387 PolarHBondContact O-N 2.7Å; A384-A388 WeakPolarHBondContact O-CB 3.33Å; A384-A388 PolarHBondContact O-N 3.46Å
385Q98.8Very high97.9Very high64 Ų6443.3 Ų43.330%0.29924%0.241SC..Hα-helixtrans-63-40.6176.6-174.417815.900112.1Y291 D381 A382 A388 Q389 L402Y291-Q385 HydrophobicContact CE2-CB 4.04Å; Y291-Q385 HydrophobicContact CE2-CG 4.36Å; D381-Q385 WeakPolarHBondContact O-CB 3.37Å; D381-Q385 PolarHBondContact O-N 3.3Å; A382-Q385 PolarHBondContact O-N 2.9Å; Q385-A388 CarbonylContact O-C 3.49Å; Q385-A388 WeakPolarHBondContact O-CB 3.29Å; Q385-A388 PolarHBondContact O-N 3.26Å; Q385-Q389 VanDerWaalsContact O-CG 3.32Å; Q385-Q389 WeakPolarHBondContact O-CG 3.42Å; Q385-Q389 PolarHBondContact O-N 3.02Å; Q385-L402 HydrophobicContact CG-CD2 3.9Å
386F98.8Very high97.9Very high71 Ų7141.8 Ų41.831%0.31123%0.23SC..Hα-helixtrans-68.9-40.1177.1-174.3-114.5000111.8I348 I377 A382 A383 A388 Q389 I390I348-F386 HydrophobicContact CD1-CD1 3.68Å; I348-F386 HydrophobicContact CD1-CE1 4.39Å; I348-F386 HydrophobicContact CG1-CD1 4.01Å; I348-F386 HydrophobicContact CG1-CE1 4.32Å; I377-F386 HydrophobicContact CD1-CB 3.19Å; I377-F386 HydrophobicContact CD1-CD1 3.29Å; I377-F386 HydrophobicContact CD1-CD2 4.17Å; I377-F386 HydrophobicContact CD1-CE1 4.14Å; I377-F386 HydrophobicContact CD1-CG 3.29Å; A382-F386 WeakPolarHBondContact O-CB 3.48Å; A382-F386 PolarHBondContact O-N 3.09Å; A383-F386 PolarHBondContact O-N 2.74Å; F386-A388 VanDerWaalsContact C-N 3.28Å; F386-A388 PolarHBondContact O-N 3.13Å; F386-Q389 WeakPolarHBondContact O-CB 3.46Å; F386-Q389 PolarHBondContact O-N 3.48Å; F386-Q389 VanDerWaalsContact O-N 3.12Å; F386-I390 HydrophobicContact CD1-CD1 3.93Å; F386-I390 HydrophobicContact CE1-CD1 3.73Å; F386-I390 HydrophobicContact CZ-CD1 4.23Å; F386-I390 WeakPolarHBondContact O-CG1 3.49Å; F386-I390 PolarHBondContact O-N 3.23Å
387A98.6Very high97.8Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-58.4-42.517000000111.3V268 I324 I348 A383 A384 Q389 I390 I391V268-A387 HydrophobicContact CG2-CB 3.75Å; I324-A387 HydrophobicContact CB-CB 4.5Å; I324-A387 HydrophobicContact CD1-CB 3.93Å; I324-A387 VanDerWaalsContact CD1-O 3.3Å; I324-A387 WeakPolarHBondContact CD1-O 3.49Å; I324-A387 HydrophobicContact CG2-CB 4.09Å; I348-A387 HydrophobicContact CD1-CB 4.2Å; A383-A387 WeakPolarHBondContact O-CB 3.23Å; A383-A387 PolarHBondContact O-N 3.49Å; A384-A387 PolarHBondContact O-N 2.7Å; A387-Q389 PolarHBondContact O-N 3.1Å; A387-I390 PolarHBondContact O-N 3.39Å; A387-I391 WeakPolarHBondContact O-CG1 3.49Å; A387-I391 PolarHBondContact O-N 3.1Å
388A98.1Very high97.7Very high0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-63.2-38.1173.100000113.2Y291 L293 A384 Q385 F386 I390 I391 G392 V398 L402Y291-A388 HydrophobicContact CD1-CB 4.19Å; Y291-A388 HydrophobicContact CD2-CB 3.79Å; Y291-A388 HydrophobicContact CE2-CB 4.42Å; Y291-A388 HydrophobicContact CG-CB 3.67Å; L293-A388 HydrophobicContact CD1-CB 3.79Å; A384-A388 WeakPolarHBondContact O-CB 3.33Å; A384-A388 PolarHBondContact O-N 3.46Å; Q385-A388 CarbonylContact O-C 3.49Å; Q385-A388 WeakPolarHBondContact O-CB 3.29Å; Q385-A388 PolarHBondContact O-N 3.26Å; F386-A388 VanDerWaalsContact C-N 3.28Å; F386-A388 PolarHBondContact O-N 3.13Å; A388-I390 VanDerWaalsContact C-N 3.33Å; A388-I390 PolarHBondContact O-N 3.17Å; A388-I391 PolarHBondContact O-N 3.34Å; A388-G392 WeakPolarHBondContact O-CA 3.42Å; A388-G392 PolarHBondContact O-N 3.4Å; A388-V398 HydrophobicContact CB-CG1 3.79Å; A388-V398 VanDerWaalsContact O-CG1 3.27Å; A388-V398 WeakPolarHBondContact O-CG1 3.42Å; A388-L402 HydrophobicContact CB-CD1 4.21Å; A388-L402 HydrophobicContact CB-CD2 4.2Å; A388-L402 HydrophobicContact CB-CG 4.38Å; A388-L402 WeakPolarHBondContact O-CD1 3.48Å
389Q98.5Very high97.7Very high93 Ų9339 Ų3944%0.43521%0.21SC..Hα-helixtrans-63.8-39.6176.2-74.5167.6-12.900111.7Q385 F386 A387 G392 L402Q385-Q389 VanDerWaalsContact O-CG 3.32Å; Q385-Q389 WeakPolarHBondContact O-CG 3.42Å; Q385-Q389 PolarHBondContact O-N 3.02Å; F386-Q389 WeakPolarHBondContact O-CB 3.46Å; F386-Q389 PolarHBondContact O-N 3.48Å; F386-Q389 VanDerWaalsContact O-N 3.12Å; A387-Q389 PolarHBondContact O-N 3.1Å; Q389-G392 PolarHBondContact O-N 2.99Å; Q389-L402 HydrophobicContact CB-CD1 4.43Å; Q389-L402 HydrophobicContact CG-CD1 3.95Å; Q389-L402 HydrophobicContact CG-CD2 4.05Å
390I98.1Very high97.7Very high46 Ų4636.7 Ų36.724%0.23619%0.193CC..Hα-helixtrans-64-51.8174.8-65.5165.3000110.2I324 P346 F386 A387 A388 G392 L393I324-I390 HydrophobicContact CD1-CB 3.67Å; I324-I390 HydrophobicContact CD1-CD1 4.09Å; I324-I390 HydrophobicContact CD1-CG1 4.48Å; I324-I390 HydrophobicContact CD1-CG2 3.65Å; I324-I390 HydrophobicContact CG1-CG2 4.38Å; P346-I390 HydrophobicContact CB-CD1 4.32Å; F386-I390 HydrophobicContact CD1-CD1 3.93Å; F386-I390 HydrophobicContact CE1-CD1 3.73Å; F386-I390 HydrophobicContact CZ-CD1 4.23Å; F386-I390 WeakPolarHBondContact O-CG1 3.49Å; F386-I390 PolarHBondContact O-N 3.23Å; A387-I390 PolarHBondContact O-N 3.39Å; A388-I390 VanDerWaalsContact C-N 3.33Å; A388-I390 PolarHBondContact O-N 3.17Å; I390-G392 VanDerWaalsContact C-N 3.28Å; I390-G392 PolarHBondContact O-N 3.38Å; I390-L393 WeakPolarHBondContact O-CB 3.33Å; I390-L393 WeakPolarHBondContact O-CG 3.33Å; I390-L393 PolarHBondContact O-N 3.04Å
391I96.8Very high97.7Very high10 Ų1038.4 Ų38.45%0.05120%0.199CC..Hα-helixtrans-65-33.3179.2-62.7-55.3000111.8L293 I324 A387 A388 L393 S394 N395 V398L293-I391 HydrophobicContact CD2-CB 4.08Å; L293-I391 HydrophobicContact CD2-CG1 4.12Å; L293-I391 HydrophobicContact CD2-CG2 3.81Å; I324-I391 HydrophobicContact CD1-CD1 3.82Å; I324-I391 HydrophobicContact CD1-CG1 3.74Å; I324-I391 HydrophobicContact CG1-CD1 4.29Å; A387-I391 WeakPolarHBondContact O-CG1 3.49Å; A387-I391 PolarHBondContact O-N 3.1Å; A388-I391 PolarHBondContact O-N 3.34Å; I391-L393 PolarHBondContact O-N 3.08Å; I391-L393 VanDerWaalsContact O-N 3.09Å; I391-S394 PolarHBondContact O-N 2.86Å; I391-S394 PolarHBondContact O-OG 2.84Å; I391-N395 HydrophobicContact CG2-CB 3.82Å; I391-N395 WeakPolarHBondContact O-CB 3.27Å; I391-N395 PolarHBondContact O-N 3.39Å; I391-V398 HydrophobicContact CG2-CB 4.45Å; I391-V398 HydrophobicContact CG2-CG2 4.06Å
392G96.5Very high97.7Very high2 Ų234.6 Ų34.62%0.02118%0.179CC..THydrogen-bonded Turntrans-63.8-11.8177.300000114.3A388 Q389 I390 S394 W399A388-G392 WeakPolarHBondContact O-CA 3.42Å; A388-G392 PolarHBondContact O-N 3.4Å; Q389-G392 PolarHBondContact O-N 2.99Å; I390-G392 VanDerWaalsContact C-N 3.28Å; I390-G392 PolarHBondContact O-N 3.38Å; G392-S394 VanDerWaalsContact C-N 3.31Å; G392-W399 WeakPolarHBondContact O-CB 3.33Å
393L95.9Very high97.7Very high141 Ų14134.6 Ų34.674%0.73817%0.172SC*.THydrogen-bonded Turntrans-65.7-36.8170.4-63.7177.6000111.7I390 I391I390-L393 WeakPolarHBondContact O-CB 3.33Å; I390-L393 WeakPolarHBondContact O-CG 3.33Å; I390-L393 PolarHBondContact O-N 3.04Å; I391-L393 PolarHBondContact O-N 3.08Å; I391-L393 VanDerWaalsContact O-N 3.09Å
394S93.5Very high97.7Very high81 Ų8134.6 Ų34.657%0.56617%0.172SC*.THydrogen-bonded Turntrans-113.9-13.8-177.2570000114.4Q263 I391 G392Q263-S394 PolarHBondContact OE1-O 3.19Å; I391-S394 PolarHBondContact O-N 2.86Å; I391-S394 PolarHBondContact O-OG 2.84Å; G392-S394 VanDerWaalsContact C-N 3.31Å
395N96.1Very high97.7Very high9 Ų936.3 Ų36.35%0.04818%0.184CC..  trans-115.3112178.8-170.9-60.1000111Q263 I391 L397 V398 W399Q263-N395 PolarHBondContact O-ND2 3Å; I391-N395 HydrophobicContact CG2-CB 3.82Å; I391-N395 WeakPolarHBondContact O-CB 3.27Å; I391-N395 PolarHBondContact O-N 3.39Å; N395-L397 PolarHBondContact O-N 2.8Å; N395-L397 WeakPolarHBondContact OD1-CB 3.43Å; N395-L397 PolarHBondContact OD1-N 2.8Å; N395-L397 VanDerWaalsContact OD1-N 3.07Å; N395-V398 HydrophobicContact CB-CB 4.32Å; N395-V398 HydrophobicContact CB-CG2 4.17Å; N395-V398 PolarHBondContact OD1-N 3.23Å; N395-V398 VanDerWaalsContact OD1-N 3.12Å; N395-W399 PolarHBondContact O-N 3.11Å; N395-W399 VanDerWaalsContact O-N 3.15Å
396H97.1Very high97.7Very high5 Ų538.5 Ų38.52%0.02320%0.196CC..Hα-helixtrans-66.6-34.9-176.869.2-69.1000112.5K178 T182 L259 E261 W399 C400K178-H396 HydrophobicContact CG-CB 4.14Å; T182-H396 HydrophobicContact CG2-CB 3.98Å; L259-H396 PolarHBondContact O-NE2 2.78Å; E261-H396 PolarHBondContact O-CE1 3.25Å; H396-W399 WeakPolarHBondContact O-CB 3.43Å; H396-W399 PolarHBondContact O-N 2.91Å; H396-C400 WeakPolarHBondContact O-CB 3.4Å; H396-C400 PolarHBondContact O-N 2.92Å; H396-C400 PolarHBondContact O-SG 3.1Å
397L97.6Very high97.6Very high32 Ų3235.2 Ų35.217%0.16818%0.182CC..Hα-helixtrans-65.4-43.4-179.2-61.6179.9000112L67 P262 N395 W399 C400 K401L67-L397 HydrophobicContact CD1-CD2 3.59Å; P262-L397 HydrophobicContact CB-CD1 4.13Å; N395-L397 PolarHBondContact O-N 2.8Å; N395-L397 WeakPolarHBondContact OD1-CB 3.43Å; N395-L397 PolarHBondContact OD1-N 2.8Å; N395-L397 VanDerWaalsContact OD1-N 3.07Å; L397-W399 VanDerWaalsContact C-N 3.34Å; L397-C400 PolarHBondContact O-N 3Å; L397-K401 PolarHBondContact O-N 3.43Å; L397-K401 VanDerWaalsContact O-N 3.14Å
398V97.4Very high97.6Very high6 Ų637.6 Ų37.64%0.03619%0.194CC..Hα-helixtrans-63.1-43.7174.6177.80000110.3L293 A388 I391 N395 C400 K401 L402L293-V398 HydrophobicContact CD2-CG1 4.35Å; L293-V398 HydrophobicContact CD2-CG2 3.72Å; L293-V398 HydrophobicContact CG-CG2 4.45Å; A388-V398 HydrophobicContact CB-CG1 3.79Å; A388-V398 VanDerWaalsContact O-CG1 3.27Å; A388-V398 WeakPolarHBondContact O-CG1 3.42Å; I391-V398 HydrophobicContact CG2-CB 4.45Å; I391-V398 HydrophobicContact CG2-CG2 4.06Å; N395-V398 HydrophobicContact CB-CB 4.32Å; N395-V398 HydrophobicContact CB-CG2 4.17Å; N395-V398 PolarHBondContact OD1-N 3.23Å; N395-V398 VanDerWaalsContact OD1-N 3.12Å; V398-C400 VanDerWaalsContact C-N 3.33Å; V398-C400 PolarHBondContact O-N 3.36Å; V398-K401 PolarHBondContact O-N 3.35Å; V398-L402 HydrophobicContact CG1-CD1 4.4Å; V398-L402 PolarHBondContact O-N 3.26Å; V398-L402 VanDerWaalsContact O-N 3.09Å
399W98.1Very high97.7Very high68 Ų6841.4 Ų41.426%0.25822%0.218SC..Hα-helixtrans-59-42.8175.5-173.793.6000112.3E174 I175 K178 G392 N395 H396 L397 K401 L402 R403E174-W399 HydrophobicContact CB-CH2 3.81Å; E174-W399 HydrophobicContact CB-CZ3 4.48Å; E174-W399 WeakPolarHBondContact O-CZ3 3.37Å; I175-W399 HydrophobicContact CG1-CZ3 4.18Å; K178-W399 HydrophobicContact CB-CD2 4.36Å; K178-W399 HydrophobicContact CB-CE3 3.73Å; K178-W399 HydrophobicContact CB-CH2 4.44Å; K178-W399 HydrophobicContact CB-CZ3 3.79Å; K178-W399 HydrophobicContact CD-CD2 4.11Å; K178-W399 HydrophobicContact CD-CE3 4.35Å; K178-W399 HydrophobicContact CD-CG 4.38Å; K178-W399 HydrophobicContact CG-CD2 3.81Å; K178-W399 HydrophobicContact CG-CE3 3.6Å; K178-W399 HydrophobicContact CG-CG 4.22Å; K178-W399 HydrophobicContact CG-CZ3 4.16Å; G392-W399 WeakPolarHBondContact O-CB 3.33Å; N395-W399 PolarHBondContact O-N 3.11Å; N395-W399 VanDerWaalsContact O-N 3.15Å; H396-W399 WeakPolarHBondContact O-CB 3.43Å; H396-W399 PolarHBondContact O-N 2.91Å; L397-W399 VanDerWaalsContact C-N 3.34Å; W399-K401 VanDerWaalsContact C-N 3.35Å; W399-K401 PolarHBondContact O-N 3.45Å; W399-L402 WeakPolarHBondContact O-CB 3.07Å; W399-L402 PolarHBondContact O-N 3.5Å; W399-R403 HydrophobicContact CE3-CB 4.14Å; W399-R403 HydrophobicContact CH2-CB 3.83Å; W399-R403 HydrophobicContact CH2-CG 3.69Å; W399-R403 HydrophobicContact CZ2-CB 4.35Å; W399-R403 HydrophobicContact CZ2-CG 4.41Å; W399-R403 HydrophobicContact CZ3-CB 3.73Å; W399-R403 HydrophobicContact CZ3-CG 3.91Å; W399-R403 WeakPolarHBondContact O-CB 3.26Å; W399-R403 PolarHBondContact O-N 3.26Å
400C98.3Very high97.7Very high0 Ų039.5 Ų39.50%021%0.207CC..Hα-helixtrans-63.8-40.4-179.8-65.80000111.7S71 I175 H396 L397 V398 R403 A404S71-C400 WeakPolarHBondContact OG-CB 3.37Å; I175-C400 HydrophobicContact CG1-CB 4.08Å; I175-C400 HydrophobicContact CG2-CB 4.09Å; H396-C400 WeakPolarHBondContact O-CB 3.4Å; H396-C400 PolarHBondContact O-N 2.92Å; H396-C400 PolarHBondContact O-SG 3.1Å; L397-C400 PolarHBondContact O-N 3Å; V398-C400 VanDerWaalsContact C-N 3.33Å; V398-C400 PolarHBondContact O-N 3.36Å; C400-R403 PolarHBondContact O-N 2.87Å; C400-A404 WeakPolarHBondContact O-CB 3.3Å; C400-A404 PolarHBondContact O-N 2.78Å
401K98.4Very high97.7Very high54 Ų5438.2 Ų38.224%0.23520%0.2CC..Hα-helixtrans-62.5-42.4174-71.2174.3179.8-71.90112.5E70 S71 Y291 L397 V398 W399 R403 S405E70-K401 PolarHBondContact O-NZ 3.01Å; S71-K401 WeakPolarHBondContact O-CA 3.28Å; Y291-K401 VanDerWaalsContact C-CD 3.46Å; Y291-K401 HydrophobicContact CD1-CB 4.16Å; Y291-K401 WeakPolarHBondContact O-CD 3.46Å; L397-K401 PolarHBondContact O-N 3.43Å; L397-K401 VanDerWaalsContact O-N 3.14Å; V398-K401 PolarHBondContact O-N 3.35Å; W399-K401 VanDerWaalsContact C-N 3.35Å; W399-K401 PolarHBondContact O-N 3.45Å; K401-R403 VanDerWaalsContact C-N 3.35Å; K401-S405 VanDerWaalsContact O-CB 3.23Å; K401-S405 WeakPolarHBondContact O-CB 3.36Å; K401-S405 PolarHBondContact O-N 3.06Å
402L98.6Very high97.8Very high15 Ų1541.2 Ų41.28%0.07922%0.223CC..Hα-helixtrans-60.3-45.9172.9-73.4163.2000111.2Y291 Q385 A388 Q389 V398 W399 A404 S405 M406Y291-L402 HydrophobicContact CD1-CD2 4.07Å; Y291-L402 HydrophobicContact CD1-CG 4.19Å; Y291-L402 HydrophobicContact CE1-CD2 3.59Å; Y291-L402 HydrophobicContact CE1-CG 4.1Å; Q385-L402 HydrophobicContact CG-CD2 3.9Å; A388-L402 HydrophobicContact CB-CD1 4.21Å; A388-L402 HydrophobicContact CB-CD2 4.2Å; A388-L402 HydrophobicContact CB-CG 4.38Å; A388-L402 WeakPolarHBondContact O-CD1 3.48Å; Q389-L402 HydrophobicContact CB-CD1 4.43Å; Q389-L402 HydrophobicContact CG-CD1 3.95Å; Q389-L402 HydrophobicContact CG-CD2 4.05Å; V398-L402 HydrophobicContact CG1-CD1 4.4Å; V398-L402 PolarHBondContact O-N 3.26Å; V398-L402 VanDerWaalsContact O-N 3.09Å; W399-L402 WeakPolarHBondContact O-CB 3.07Å; W399-L402 PolarHBondContact O-N 3.5Å; L402-A404 PolarHBondContact O-N 2.63Å; L402-S405 WeakPolarHBondContact O-CB 3.22Å; L402-S405 PolarHBondContact O-N 2.54Å; L402-M406 WeakPolarHBondContact O-CG 3.38Å; L402-M406 PolarHBondContact O-N 3.05Å
403R98.8Very high97.8Very high29 Ų2946.8 Ų46.811%0.10925%0.251CS..Hα-helixtrans-65.5-40.5-177.2-177.957.5-172.782.51.6112.9A171 E174 I175 W399 C400 K401 L407A171-R403 VanDerWaalsContact CA-NH2 3.26Å; A171-R403 VanDerWaalsContact CB-CZ 3.46Å; A171-R403 VanDerWaalsContact CB-NH1 3.26Å; E174-R403 IonicContact OE2-CZ 4Å; E174-R403 IonicContact OE2-NE 2.73Å; E174-R403 PolarHBondContact OE2-NE 3.46Å; E174-R403 IonicContact OE2-NH2 2.81Å; E174-R403 PolarHBondContact OE2-NH2 2.92Å; I175-R403 HydrophobicContact CG1-CB 4.28Å; I175-R403 HydrophobicContact CG1-CG 4.18Å; W399-R403 HydrophobicContact CE3-CB 4.14Å; W399-R403 HydrophobicContact CH2-CB 3.83Å; W399-R403 HydrophobicContact CH2-CG 3.69Å; W399-R403 HydrophobicContact CZ2-CB 4.35Å; W399-R403 HydrophobicContact CZ2-CG 4.41Å; W399-R403 HydrophobicContact CZ3-CB 3.73Å; W399-R403 HydrophobicContact CZ3-CG 3.91Å; W399-R403 WeakPolarHBondContact O-CB 3.26Å; W399-R403 PolarHBondContact O-N 3.26Å; C400-R403 PolarHBondContact O-N 2.87Å; K401-R403 VanDerWaalsContact C-N 3.35Å; R403-L407 PolarHBondContact O-N 2.84Å
404A98.7Very high97.9Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-69.3-39.5174.100000111.7S71 I73 I175 C400 L402 M406 L407 N408S71-A404 WeakPolarHBondContact O-CB 3.41Å; I73-A404 HydrophobicContact CD1-CB 3.8Å; I73-A404 HydrophobicContact CG1-CB 4.28Å; I175-A404 HydrophobicContact CD1-CB 4.29Å; C400-A404 WeakPolarHBondContact O-CB 3.3Å; C400-A404 PolarHBondContact O-N 2.78Å; L402-A404 PolarHBondContact O-N 2.63Å; A404-M406 VanDerWaalsContact C-N 3.3Å; A404-M406 PolarHBondContact O-N 3.42Å; A404-L407 WeakPolarHBondContact O-CB 3.5Å; A404-L407 PolarHBondContact O-N 3.22Å; A404-L407 VanDerWaalsContact O-N 3.1Å; A404-N408 WeakPolarHBondContact O-CB 3.46Å; A404-N408 VanDerWaalsContact O-CG 3.31Å; A404-N408 PolarHBondContact O-N 3.33Å; A404-N408 PolarHBondContact O-ND2 3.14Å
405S98.4Very high98Very high36 Ų3641.8 Ų41.825%0.25222%0.217SC..Hα-helixtrans-58.3-41.6174.8178.50000112.2K401 L402 L407 N408 T409K401-S405 VanDerWaalsContact O-CB 3.23Å; K401-S405 WeakPolarHBondContact O-CB 3.36Å; K401-S405 PolarHBondContact O-N 3.06Å; L402-S405 WeakPolarHBondContact O-CB 3.22Å; L402-S405 PolarHBondContact O-N 2.54Å; S405-L407 PolarHBondContact O-N 3.34Å; S405-N408 PolarHBondContact O-N 3.01Å; S405-T409 WeakPolarHBondContact O-CB 3.37Å; S405-T409 PolarHBondContact O-N 2.99Å; S405-T409 PolarHBondContact O-OG1 2.86Å
406M98.4Very high98.1Very high110 Ų11043.8 Ų43.854%0.54223%0.234SC..Hα-helixtrans-62.1-40.2174-69173.668.600112.6L402 A404 W410L402-M406 WeakPolarHBondContact O-CG 3.38Å; L402-M406 PolarHBondContact O-N 3.05Å; A404-M406 VanDerWaalsContact C-N 3.3Å; A404-M406 PolarHBondContact O-N 3.42Å; M406-W410 PolarHBondContact O-N 3.25Å
407L98.7Very high98.1Very high3 Ų347.3 Ų47.32%0.01625%0.253CS..Hα-helixtrans-63.6-53.7174.2172.768.6000110.4I73 R167 A171 R403 A404 S405 T409 W410 V411I73-L407 HydrophobicContact CD1-CD2 3.77Å; R167-L407 HydrophobicContact CB-CD1 4.11Å; R167-L407 HydrophobicContact CG-CD1 3.89Å; A171-L407 HydrophobicContact CB-CB 4.26Å; A171-L407 HydrophobicContact CB-CD2 3.84Å; A171-L407 HydrophobicContact CB-CG 4.44Å; R403-L407 PolarHBondContact O-N 2.84Å; A404-L407 WeakPolarHBondContact O-CB 3.5Å; A404-L407 PolarHBondContact O-N 3.22Å; A404-L407 VanDerWaalsContact O-N 3.1Å; S405-L407 PolarHBondContact O-N 3.34Å; L407-T409 VanDerWaalsContact C-N 3.29Å; L407-T409 PolarHBondContact O-N 3.18Å; L407-W410 CarbonylContact O-C 3.13Å; L407-W410 PolarHBondContact O-N 2.93Å; L407-V411 HydrophobicContact CD1-CG2 3.97Å; L407-V411 HydrophobicContact CG-CG2 4.14Å; L407-V411 WeakPolarHBondContact O-CG2 3.24Å; L407-V411 PolarHBondContact O-N 3.21Å
408N98.4Very high97.9Very high49 Ų4949 Ų4926%0.26226%0.26SS..Hα-helixtrans-62.5-36.6-174-69.5-22.1000112.4G72 A404 S405 V411 S412G72-N408 PolarHBondContact O-ND2 3.05Å; A404-N408 WeakPolarHBondContact O-CB 3.46Å; A404-N408 VanDerWaalsContact O-CG 3.31Å; A404-N408 PolarHBondContact O-N 3.33Å; A404-N408 PolarHBondContact O-ND2 3.14Å; S405-N408 PolarHBondContact O-N 3.01Å; N408-V411 PolarHBondContact O-N 3.27Å; N408-S412 WeakPolarHBondContact O-CB 3.42Å; N408-S412 PolarHBondContact O-N 2.98Å; N408-S412 PolarHBondContact O-OG 3.45Å
409T98.5Very high97.7Very high81 Ų8156.1 Ų56.150%0.49729%0.291SS..Hα-helixtrans-61.8-46.7173.3-57.10000110.6S405 L407 S412 L413S405-T409 WeakPolarHBondContact O-CB 3.37Å; S405-T409 PolarHBondContact O-N 2.99Å; S405-T409 PolarHBondContact O-OG1 2.86Å; L407-T409 VanDerWaalsContact C-N 3.29Å; L407-T409 PolarHBondContact O-N 3.18Å; T409-S412 WeakPolarHBondContact O-CB 3.46Å; T409-S412 PolarHBondContact O-N 3.32Å; T409-L413 WeakPolarHBondContact O-CG 3.38Å; T409-L413 PolarHBondContact O-N 2.99Å; T409-L413 VanDerWaalsContact O-N 3.13Å
410W98.8Very high97.6Very high53 Ų5358.5 Ų58.520%0.20131%0.308CS..Hα-helixtrans-66.5-39.8178.1175.286.7000112.6D163 I164 R167 M406 L407 S412 L413 K414D163-W410 HydrophobicContact CB-CH2 3.69Å; D163-W410 HydrophobicContact CB-CZ2 4.14Å; D163-W410 WeakPolarHBondContact O-CH2 3.2Å; I164-W410 HydrophobicContact CB-CZ3 4.48Å; I164-W410 HydrophobicContact CG1-CH2 4.31Å; I164-W410 HydrophobicContact CG1-CZ3 3.91Å; R167-W410 HydrophobicContact CB-CE3 4.39Å; R167-W410 HydrophobicContact CB-CH2 4.17Å; R167-W410 HydrophobicContact CB-CZ3 3.97Å; R167-W410 VanDerWaalsContact CD-CD2 3.42Å; R167-W410 VanDerWaalsContact CD-CE3 3.48Å; R167-W410 HydrophobicContact CG-CE3 4.4Å; R167-W410 HydrophobicContact CG-CZ3 4.45Å; R167-W410 VanDerWaalsContact CZ-CG 3.42Å; R167-W410 VanDerWaalsContact NH1-CG 3.3Å; M406-W410 PolarHBondContact O-N 3.25Å; L407-W410 CarbonylContact O-C 3.13Å; L407-W410 PolarHBondContact O-N 2.93Å; W410-S412 VanDerWaalsContact C-N 3.3Å; W410-S412 PolarHBondContact O-N 3.05Å; W410-L413 WeakPolarHBondContact O-CB 3.34Å; W410-L413 PolarHBondContact O-N 3.34Å; W410-K414 HydrophobicContact CD2-CG 4.06Å; W410-K414 HydrophobicContact CE3-CG 4.18Å; W410-K414 HydrophobicContact CH2-CD 4.16Å; W410-K414 HydrophobicContact CH2-CG 3.7Å; W410-K414 HydrophobicContact CZ2-CD 3.71Å; W410-K414 HydrophobicContact CZ2-CG 3.55Å; W410-K414 HydrophobicContact CZ3-CG 4Å; W410-K414 PolarHBondContact O-N 3.2Å
411V98.4Very high97.2Very high18 Ų1863.6 Ų63.611%0.10933%0.332CS..Hα-helixtrans-61.3-42.3174.8172.40000110.2I164 L407 N408 L413 K414 L415I164-V411 HydrophobicContact CD1-CG1 4.1Å; I164-V411 HydrophobicContact CG1-CG1 4.31Å; I164-V411 HydrophobicContact CG1-CG2 4.29Å; I164-V411 HydrophobicContact CG2-CG1 4.47Å; I164-V411 HydrophobicContact CG2-CG2 4.16Å; L407-V411 HydrophobicContact CD1-CG2 3.97Å; L407-V411 HydrophobicContact CG-CG2 4.14Å; L407-V411 WeakPolarHBondContact O-CG2 3.24Å; L407-V411 PolarHBondContact O-N 3.21Å; N408-V411 PolarHBondContact O-N 3.27Å; V411-L413 VanDerWaalsContact C-N 3.3Å; V411-L413 PolarHBondContact O-N 3.49Å; V411-K414 PolarHBondContact O-N 2.96Å; V411-L415 HydrophobicContact CG1-CD1 3.85Å; V411-L415 HydrophobicContact CG1-CG 4.22Å; V411-L415 WeakPolarHBondContact O-CG 3.4Å; V411-L415 PolarHBondContact O-N 3.49Å
412S98.3Very high96.8Very high74 Ų7464.2 Ų64.252%0.51735%0.347SS..Hα-helixtrans-61.1-39.1178.1-580000112N408 T409 W410 A416N408-S412 WeakPolarHBondContact O-CB 3.42Å; N408-S412 PolarHBondContact O-N 2.98Å; N408-S412 PolarHBondContact O-OG 3.45Å; T409-S412 WeakPolarHBondContact O-CB 3.46Å; T409-S412 PolarHBondContact O-N 3.32Å; W410-S412 VanDerWaalsContact C-N 3.3Å; W410-S412 PolarHBondContact O-N 3.05Å; S412-A416 VanDerWaalsContact O-CB 3.27Å; S412-A416 WeakPolarHBondContact O-CB 3.27Å; S412-A416 PolarHBondContact O-N 2.81Å
413L98.3Very high96.3Very high118 Ų11868.3 Ų68.362%0.61838%0.376SS*.Hα-helixtrans-64.4-44.8174.3-68.5169.9000111.8T409 W410 V411 A416 D417T409-L413 WeakPolarHBondContact O-CG 3.38Å; T409-L413 PolarHBondContact O-N 2.99Å; T409-L413 VanDerWaalsContact O-N 3.13Å; W410-L413 WeakPolarHBondContact O-CB 3.34Å; W410-L413 PolarHBondContact O-N 3.34Å; V411-L413 VanDerWaalsContact C-N 3.3Å; V411-L413 PolarHBondContact O-N 3.49Å; L413-A416 PolarHBondContact O-N 3.26Å; L413-D417 WeakPolarHBondContact O-CB 3.4Å; L413-D417 PolarHBondContact O-N 3.31Å
414K97.6Very high95.4Very high45 Ų4572 Ų7220%0.19641%0.405CS..Hα-helixtrans-59.8-46.8177.6-73.5-71.6-59.9-170.40112.1D163 W410 V411 D417 Q418D163-K414 IonicContact OD2-NZ 2.75Å; D163-K414 PolarHBondContact OD2-NZ 3.3Å; W410-K414 HydrophobicContact CD2-CG 4.06Å; W410-K414 HydrophobicContact CE3-CG 4.18Å; W410-K414 HydrophobicContact CH2-CD 4.16Å; W410-K414 HydrophobicContact CH2-CG 3.7Å; W410-K414 HydrophobicContact CZ2-CD 3.71Å; W410-K414 HydrophobicContact CZ2-CG 3.55Å; W410-K414 HydrophobicContact CZ3-CG 4Å; W410-K414 PolarHBondContact O-N 3.2Å; V411-K414 PolarHBondContact O-N 2.96Å; K414-D417 PolarHBondContact O-N 2.79Å; K414-Q418 WeakPolarHBondContact O-CB 3.49Å; K414-Q418 PolarHBondContact O-N 3.21Å
415L96.1Very high93.3Very high73 Ų7381.9 Ų81.938%0.38246%0.458SS..Hα-helixtrans-68-37.1179.3-65.6175.6000112.1I164 V411 K419I164-L415 HydrophobicContact CD1-CD2 4Å; I164-L415 HydrophobicContact CD1-CG 4.35Å; V411-L415 HydrophobicContact CG1-CD1 3.85Å; V411-L415 HydrophobicContact CG1-CG 4.22Å; V411-L415 WeakPolarHBondContact O-CG 3.4Å; V411-L415 PolarHBondContact O-N 3.49Å; L415-K419 WeakPolarHBondContact O-CB 3.4Å; L415-K419 PolarHBondContact O-N 3.16Å
416A96.9Very high93.1Very high51 Ų5184.2 Ų84.242%0.42147%0.468SS..Hα-helixtrans-64.3-45175.800000111.8S412 L413 K419 L420S412-A416 VanDerWaalsContact O-CB 3.27Å; S412-A416 WeakPolarHBondContact O-CB 3.27Å; S412-A416 PolarHBondContact O-N 2.81Å; L413-A416 PolarHBondContact O-N 3.26Å; A416-K419 PolarHBondContact O-N 2.99Å; A416-L420 WeakPolarHBondContact O-CG 3.48Å; A416-L420 PolarHBondContact O-N 3.35Å
417D96.9Very high92.8Very high78 Ų7882.8 Ų82.842%0.41746%0.464SS..Hα-helixtrans-62.1-48.3175.8178.651.6000111.8L413 K414 K419 L420 Q421L413-D417 WeakPolarHBondContact O-CB 3.4Å; L413-D417 PolarHBondContact O-N 3.31Å; K414-D417 PolarHBondContact O-N 2.79Å; D417-K419 VanDerWaalsContact C-N 3.27Å; D417-K419 PolarHBondContact O-N 3.43Å; D417-L420 PolarHBondContact O-N 3.01Å; D417-Q421 VanDerWaalsContact CG-NE2 3.32Å; D417-Q421 WeakPolarHBondContact O-CG 3.41Å; D417-Q421 PolarHBondContact O-N 3.38Å; D417-Q421 PolarHBondContact OD1-NE2 3.49Å; D417-Q421 PolarHBondContact OD2-NE2 2.94Å
418Q94.5Very high92.5Very high68 Ų6887.3 Ų87.332%0.31849%0.489SS..Hα-helixtrans-56.5-41.8176.1-173.5-178.131.600112C160 E161 K414 Q421 A422C160-Q418 PolarHBondContact SG-OE1 3.14Å; C160-Q418 VanDerWaalsContact SG-OE1 3.38Å; E161-Q418 PolarHBondContact OE1-NE2 3.08Å; E161-Q418 PolarHBondContact OE1-OE1 3.12Å; K414-Q418 WeakPolarHBondContact O-CB 3.49Å; K414-Q418 PolarHBondContact O-N 3.21Å; Q418-Q421 PolarHBondContact O-N 3.11Å; Q418-A422 PolarHBondContact O-N 3.36Å; Q418-A422 VanDerWaalsContact O-N 3.1Å
419K93.2Very high92.1Very high156 Ų15689.5 Ų89.568%0.67850%0.502SS*.Hα-helixtrans-64-40.5176.2-174.5179.1178.8-178.70112.2L415 A416 D417 A422 C423L415-K419 WeakPolarHBondContact O-CB 3.4Å; L415-K419 PolarHBondContact O-N 3.16Å; A416-K419 PolarHBondContact O-N 2.99Å; D417-K419 VanDerWaalsContact C-N 3.27Å; D417-K419 PolarHBondContact O-N 3.43Å; K419-A422 PolarHBondContact O-N 2.65Å; K419-C423 PolarHBondContact O-N 3.1Å; K419-C423 PolarHBondContact O-SG 3.31Å
420L94.4Very high91.7Very high118 Ų11890.1 Ų90.162%0.61850%0.503SS*.Hα-helixtrans-68.5-38.4177.8-71.1171.4000112.1A416 D417 A422 C423 S424A416-L420 WeakPolarHBondContact O-CG 3.48Å; A416-L420 PolarHBondContact O-N 3.35Å; D417-L420 PolarHBondContact O-N 3.01Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.09Å; L420-C423 PolarHBondContact O-N 3.23Å; L420-S424 PolarHBondContact O-N 2.96Å; L420-S424 PolarHBondContact O-OG 3.02Å
421Q91.9Very high91.2Very high107 Ų10792.5 Ų92.550%0.552%0.523SS..Hα-helixtrans-62.8-40.2175.7-70.7173.99.300111.6D417 Q418 C423 S424D417-Q421 VanDerWaalsContact CG-NE2 3.32Å; D417-Q421 WeakPolarHBondContact O-CG 3.41Å; D417-Q421 PolarHBondContact O-N 3.38Å; D417-Q421 PolarHBondContact OD1-NE2 3.49Å; D417-Q421 PolarHBondContact OD2-NE2 2.94Å; Q418-Q421 PolarHBondContact O-N 3.11Å; Q421-C423 VanDerWaalsContact C-N 3.25Å; Q421-C423 PolarHBondContact O-N 3.31Å; Q421-S424 PolarHBondContact O-N 3.21Å
422A89.1Confident90.7Very high67 Ų6797.9 Ų97.955%0.55455%0.552SS**Hα-helixtrans-65.8-23.5176.600000113.9Q418 K419 L420Q418-A422 PolarHBondContact O-N 3.36Å; Q418-A422 VanDerWaalsContact O-N 3.1Å; K419-A422 PolarHBondContact O-N 2.65Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.09Å
423C88Confident90.1Very high101 Ų10199.7 Ų99.768%0.68256%0.555SS**THydrogen-bonded Turntrans-85.2-11.8173.2-63.60000113.5K419 L420 Q421K419-C423 PolarHBondContact O-N 3.1Å; K419-C423 PolarHBondContact O-SG 3.31Å; L420-C423 PolarHBondContact O-N 3.23Å; Q421-C423 VanDerWaalsContact C-N 3.25Å; Q421-C423 PolarHBondContact O-N 3.31Å
424S79.5Confident89.5Confident105 Ų10598.2 Ų98.273%0.73455%0.55SS*.  trans-95.1-4.7-179-54.60000113L420 Q421L420-S424 PolarHBondContact O-N 2.96Å; L420-S424 PolarHBondContact O-OG 3.02Å; Q421-S424 PolarHBondContact O-N 3.21Å
425L55.5Low88.7Confident209 Ų209103 Ų103100%1.09458%0.582SS**  trans-103.30172.8-67.1168.6000109

Retrieved 425 of 425 residues in 305.7 ms (Link to these results)

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